entry_ID,name,short_name,modomics_code,moiety_type,reference_moiety,abbrev,pubchem_id,smile,nature,formula,mass_monoiso,mass_avg,mass_prot,lc_elution_time,lc_elution_comment,lc_reference_article,product_ions,ms_file,msms_file,msmsms_file,ms_reference,log_P,TPSA,atoms,degeneracy,HBA1,HBD,InChI,InChIKey,modified_residue_image_file,modified_residue_3D_pdb_file,modified_residue_3D_mol_file,modified_residue_3D_mol2_file,modified_residue_3D_sdf_file,modified_residue_2D_pdb_file,modified_residue_2D_mol_file,modified_residue_2D_mol2_file,modified_residue_2D_sdf_file,modified_residue_2D_smi_file,chemical_types,rna_types,kingdom_types,building_blocks,comment,related_nucleosides,related_nucleotides,related_articles,tautomers_image,tautomers_smiles,CYP3A4_isoform_image,CYP2D6_isoform_image,CYP2C9_isoform_image,HMDBs,RCSB_ligands,in_DNA,in_RNA
293,((2R,3S,4R,5S)-5-(2,6-diamino-9H-purin-9-YL)-3,4-dihydroxy-tetrahydrofuran-2-YL)methyl dihydrogen phosphate,N6G,,nucleotide,Unknown,㐏,3013082,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c(N)[n]c2N)(=O)[O-],Unnatural,C10H15N6O7P,None,360.236,None,,,,,False,False,False,,-2.2807999999999997,212.09,39,not aplicable,13,4,InChI=1S/C10H15N6O7P/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,19,20,21)(H4,11,12,14,15)/p-2/t3-,5-,6-,9-/m1/s1,KQJMOJABMFAPCE-UUOKFMHZSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,N6G,No,Yes
264,((2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-(2- ((((2R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)- 3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)-4- hydroxytetrahydrofuran-2-yl)methyl phosphate,URU,,nucleotide,Uridine,㐿,137350100,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1CC(NC[C@H]1O[C@@H](N2C(=O)NC(=O)C=C2)[C@H](O)[C@@H]1O)=O)N1C(NC(=O)C=C1)=O)(=O)[O-],Unnatural,C20H26N5O14P,None,587.388,None,None,None,,None,False,False,False,,-4.803899999999993,284.73,66,not aplicable,17,4,InChI=1S/C20H26N5O14P/c26-11-1-3-24(19(32)22-11)17-14(29)8(10(39-17)7-37-40(34,35)36)5-13(28)21-6-9-15(30)16(31)18(38-9)25-4-2-12(27)23-20(25)33/h1-4,8-10,14-18,29-31H,5-7H2,(H,21,28)(H,22,26,32)(H,23,27,33)(H2,34,35,36)/p-2/t8-,9-,10-,14-,15-,16-,17-,18-/m1/s1,WKTKVGCYUSOTBH-VKGBBMGNSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,URU,No,Yes
309,(1S)-1,4-anhydro-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-xylitol,M1Y,,nucleotide,Unknown,㑀,137349722,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@H]1O)C1C(NC(=O)N(C=1)C)=O)(=O)[O-],Unnatural,C10H15N2O9P,None,335.184,None,None,None,,None,False,False,False,,-2.6553999999999984,171.31,37,not aplicable,10,2,InChI=1S/C10H15N2O9P/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/p-2/t5-,6+,7-,8+/m1/s1,VORAOZTXNOXTGQ-CWKFCGSDSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,M1Y,No,Yes
246,(1S)-1,4-anhydro-1-(2,4-difluoro-5-methylphenyl)-5-O-phosphono-D-ribitol,NF2,,nucleotide,Unknown,㑁,49867372,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1c(F)cc(F)c(c1)C)(=O)[O-],Unnatural,C12H15F2O7P,None,338.198,None,,,,,False,False,False,,0.544219999999999,116.45000000000002,37,not aplicable,7,2,InChI=1S/C12H15F2O7P/c1-5-2-6(8(14)3-7(5)13)12-11(16)10(15)9(21-12)4-20-22(17,18)19/h2-3,9-12,15-16H,4H2,1H3,(H2,17,18,19)/p-2/t9-,10-,11-,12+/m1/s1,DMROPYMHNVLDPZ-KKOKHZNYSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,False,True,True,True,,NF2,No,Yes
225,(1S)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol,3TD,,nucleotide,Unknown,㑂,52941584,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC(=O)N(C1=O)C)(=O)[O-],Unnatural,C10H15N2O9P,None,336.192,None,,,,,False,False,False,,-2.6553999999999984,171.31,37,not aplicable,10,3,InChI=1S/C10H15N2O9P/c1-12-9(15)4(2-11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,16)(H2,17,18,19)/p-2/t5-,6-,7-,8+/m1/s1,XBPGZENOIJPXSD-XUTVFYLZSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,3TD,No,Yes
297,(2R,4S)-1-[(4R)-3,4-dihydroxytetrahydrofuran-2-YL]-5-[(methylamino)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-diol-5'-monophosphate,pmnm5U,2000511551U,nucleotide,Uridine,{,None,CNCc1c(=O)[nH]c(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c1,Natural,C11H16N3O9P,None,365.233,None,,,,,False,False,False,,-1.7482,198.81,24,not aplicable,11,4,InChI=1S/C11H18N3O9P/c1-12-2-5-3-14(11(18)13-9(5)17)10-8(16)7(15)6(23-10)4-22-24(19,20)21/h3,6-8,10,12,15-16H,2,4H2,1H3,(H,13,17,18)(H2,19,20,21)/p-2/t6-,7-,8-,10-/m1/s1,NLAYVTPUNIVXFK-FDDDBJFASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,129,,,True,True,True,True,True,,MNU,No,Yes
286,(2~{R})-2-azanyl-4-[5-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid,B8N,,nucleotide,Uridine,㑃,137348987,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1C(N(CC[C@@H](N)C(O)=O)C(=O)N(C=1)C)=O)(=O)[O-],Unnatural,C14H22N3O11P,None,437.296,None,None,None,,None,False,False,False,,-3.3799999999999955,223.76999999999995,51,not aplicable,14,4,InChI=1S/C14H22N3O11P/c1-16-4-6(12(20)17(14(16)23)3-2-7(15)13(21)22)11-10(19)9(18)8(28-11)5-27-29(24,25)26/h4,7-11,18-19H,2-3,5,15H2,1H3,(H,21,22)(H2,24,25,26)/p-2/t7-,8-,9-,10-,11+/m1/s1,BVRIEBGMUPJSJF-ILAIQSSSSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,B8N,No,Yes
260,(5S)-5-{3-[(3S)-3-amino-3-carboxypropyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}-2,5-anhydro-1-O-phosphono-L-arabinitol,C4J,,nucleotide,Unknown,㑄,137349051,[O-]P(OC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)C1C(N(CC[C@H](N)C(O)=O)C(=O)N(C=1)C)=O)(=O)[O-],Unnatural,C14H22N3O11P,None,437.296,None,None,None,,None,False,False,False,,-3.3799999999999955,223.76999999999995,51,not aplicable,14,4,InChI=1S/C14H22N3O11P/c1-16-4-6(12(20)17(14(16)23)3-2-7(15)13(21)22)11-10(19)9(18)8(28-11)5-27-29(24,25)26/h4,7-11,18-19H,2-3,5,15H2,1H3,(H,21,22)(H2,24,25,26)/p-2/t7-,8-,9+,10+,11-/m0/s1,BVRIEBGMUPJSJF-DAWVFNFOSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,C4J,No,Yes
308,(5S,6R)-5-fluoro-6-hydroxy-pseudouridine-5'-monophosphate,FHU,,nucleotide,Unknown,㑅,49866987,[O-]P(OC[C@H]1O[C@@H]([C@@]2(F)C(=O)NC(=O)N[C@@H]2O)[C@H](O)[C@@H]1O)(=O)[O-],Unnatural,C9H14FN2O10P,None,358.171,None,None,None,,None,False,False,False,,-3.548999999999999,194.88,37,not aplicable,12,5,InChI=1S/C9H14FN2O10P/c10-9(6(15)11-8(17)12-7(9)16)5-4(14)3(13)2(22-5)1-21-23(18,19)20/h2-6,13-15H,1H2,(H2,18,19,20)(H2,11,12,16,17)/p-2/t2-,3-,4-,5-,6-,9+/m1/s1,MDODZQNHCLANBT-ZTZBTGHISA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,FHU,No,Yes
245,(D)-2'-methylselenyl-2'-deoxycytidine-5'-phosphate,CSL,,nucleotide,Cytidine,㐃,None,Nc1cc[n]([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2[Se]C)c(=O)n1,Unnatural,C10H14N3O7PSe,None,398.168,None,,,,,False,False,False,,0.1915,172.6,22,not aplicable,10,2,InChI=1S/C10H16N3O7PSe/c1-22-8-7(14)5(4-19-21(16,17)18)20-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/p-2/t5-,7-,8-,9-/m1/s1,INVVCVIDTHAWAJ-ZOQUXTDFSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,CSL,Yes,Yes
307,(E)-N-{[4-oxo-1-(5-O-phosphono-beta-D-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methylidene}glycin,1RN,,nucleotide,Unknown,㑆,137347988,[O-]P(OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1C=C(/C=N/CC(O)=O)C(NC1=S)=O)(=O)[O-],Unnatural,C12H16N3O10PS,None,423.292,None,None,None,,None,False,False,False,,-1.8621099999999997,203.89999999999995,43,not aplicable,13,4,InChI=1S/C12H16N3O10PS/c16-7(17)2-13-1-5-3-15(12(27)14-10(5)20)11-9(19)8(18)6(25-11)4-24-26(21,22)23/h1,3,6,8-9,11,18-19H,2,4H2,(H,16,17)(H,14,20,27)(H2,21,22,23)/p-2/b13-1+/t6-,8-,9+,11-/m1/s1,OIOFJGQNCGWJPT-PDCDXKGCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,1RN,No,Yes
32,1,2'-O-dimethyladenosine,m1Am,2000000901A,nucleoside,Adenosine,œ,None,CO[C@H]1[C@H]([n]2c3nc[n](c(=N)c3nc2)C)O[C@H](CO)[C@H]1O,Natural,C12H17N5O4,295.1281,295.294,296.1359,,,,150,False,False,False,,-1.3854,118.41,21,not applicable,9,3,InChI=1S/C12H17N5O4/c1-16-4-15-11-7(10(16)13)14-5-17(11)12-9(20-2)8(19)6(3-18)21-12/h4-6,8-9,12-13,18-19H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1,DJONVIMMDYQLKR-WOUKDFQISA-N,True,True,True,True,True,True,True,True,True,True,,,,,,,340,,False,False,True,True,True,HMDB0003331,,No,Yes
340,1,2'-O-dimethyladenosine-5'-monophosphate,pm1Am,2000901551A,nucleotide,Adenosine,œ,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1cnc2c(=N)[n](C)cnc12,Natural,C12H16N5O7P,None,373.259,None,,,,,False,False,False,,-0.392,180.41,25,,12,2,InChI=1S/C12H18N5O7P/c1-16-4-15-11-7(10(16)13)14-5-17(11)12-9(22-2)8(18)6(24-12)3-23-25(19,20)21/h4-6,8-9,12-13,18H,3H2,1-2H3,(H2,19,20,21)/p-2/t6-,8-,9-,12-/m1/s1,HJNGEIFVNBNRDN-WOUKDFQISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,32,,,False,False,True,True,True,,,None,None
63,1,2'-O-dimethylguanosine,m1Gm,2000000901G,nucleoside,Guanosine,ε,None,CO[C@H]1[C@H]([n]2c3nc([n](c(=O)c3nc2)C)N)O[C@H](CO)[C@H]1O,Natural,C12H17N5O5,311.123,311.294,312.1308,,,,166,False,False,False,,-1.441,137.65,22,not applicable,10,3,InChI=1S/C12H17N5O5/c1-16-10(20)6-9(15-12(16)13)17(4-14-6)11-8(21-2)7(19)5(3-18)22-11/h4-5,7-8,11,18-19H,3H2,1-2H3,(H2,13,15)/t5-,7-,8-,11-/m1/s1,JLYURAYAEKVGQJ-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,,,,,,341,,True,True,True,True,True,HMDB0001961,,No,Yes
341,1,2'-O-dimethylguanosine-5'-monophosphate,pm1Gm,2000901551G,nucleotide,Guanosine,ε,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1cnc2c(=O)[n](C)c(N)nc12,Natural,C12H16N5O8P,None,389.258,None,,,,,False,False,False,,-0.4476,199.65,26,,13,2,InChI=1S/C12H18N5O8P/c1-16-10(19)6-9(15-12(16)13)17(4-14-6)11-8(23-2)7(18)5(25-11)3-24-26(20,21)22/h4-5,7-8,11,18H,3H2,1-2H3,(H2,13,15)(H2,20,21,22)/p-2/t5-,7-,8-,11-/m1/s1,DQOJIPVQEWUWJT-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,63,,,True,True,True,True,True,,,None,None
33,1,2'-O-dimethylinosine,m1Im,2000009019A,nucleoside,Adenosine,ξ,None,CO[C@H]1[C@H]([n]2c3nc[n](c(=O)c3nc2)C)O[C@H](CO)[C@H]1O,Natural,C12H16N4O5,296.1121,296.279,297.1199,,,,151,False,False,False,,-1.6044,111.63,21,not applicable,9,2,InChI=1S/C12H16N4O5/c1-15-4-14-10-7(11(15)19)13-5-16(10)12-9(20-2)8(18)6(3-17)21-12/h4-6,8-9,12,17-18H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1,JSRIPIORIMCGTG-WOUKDFQISA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,other,,,,,,342,,False,False,True,True,True,HMDB0002721,,No,Yes
342,1,2'-O-dimethylinosine-5'-monophosphate,pm1Im,2009019551A,nucleotide,Adenosine,ξ,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1cnc2c(=O)[n](C)cnc12,Natural,C12H15N4O8P,None,374.243,None,,,,,False,False,False,,-0.611,173.63,25,,12,1,InChI=1S/C12H17N4O8P/c1-15-4-14-10-7(11(15)18)13-5-16(10)12-9(22-2)8(17)6(24-12)3-23-25(19,20)21/h4-6,8-9,12,17H,3H2,1-2H3,(H2,19,20,21)/p-2/t6-,8-,9-,12-/m1/s1,QMUZBFOCLALONG-WOUKDFQISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,33,,,False,False,True,True,True,,,None,None
272,1-(2,6-dideoxy-2-fluoro-5-O-phosphono-alpha-L-talofuranosyl)pyrimidine-2,4(1H,3H)-dione,U5M,,nucleotide,Uridine,㑇,137350076,[O-]P(O[C@@H](C)[C@H]1O[C@@H](N2C(=O)NC(=O)C=C2)[C@H](F)[C@@H]1O)(=O)[O-],Unnatural,C10H14FN2O8P,None,337.175,None,None,None,,None,False,False,False,,-1.3692000000000002,151.07999999999998,36,not aplicable,9,1,InChI=1S/C10H14FN2O8P/c1-4(21-22(17,18)19)8-7(15)6(11)9(20-8)13-3-2-5(14)12-10(13)16/h2-4,6-9,15H,1H3,(H,12,14,16)(H2,17,18,19)/p-2/t4-,6+,7-,8+,9+/m0/s1,AVNIYVQWHJOOLV-VEMNEOHVSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,U5M,No,Yes
284,1-(2,6-dideoxy-2-fluoro-5-O-phosphono-beta-D-allofuranosyl)pyrimidine-2,4(1H,3H)-dione,U5R,,nucleotide,Uridine,㑈,137350077,[O-]P(O[C@H](C)[C@H]1O[C@@H](N2C(=O)NC(=O)C=C2)[C@H](F)[C@@H]1O)(=O)[O-],Unnatural,C10H14FN2O8P,None,337.175,None,None,None,,None,False,False,False,,-1.3692000000000002,151.07999999999998,36,not aplicable,9,1,InChI=1S/C10H14FN2O8P/c1-4(21-22(17,18)19)8-7(15)6(11)9(20-8)13-3-2-5(14)12-10(13)16/h2-4,6-9,15H,1H3,(H,12,14,16)(H2,17,18,19)/p-2/t4-,6-,7+,8-,9-/m1/s1,AVNIYVQWHJOOLV-DDIGBBAMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,U5R,No,Yes
322,1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one,US3,,nucleotide,Unknown,㑖,49867805,[O-]P(OC[C@H]1O[C@H](C[C@@H]1O)N1C([SeH])=NC(=O)C(=C1)C)(=O)[O-],Unnatural,C10H15N2O7PSe,None,383.153,None,None,None,,None,False,False,False,,-2.16448,131.11,36,not aplicable,9,2,InChI=1S/C10H15N2O7PSe/c1-5-3-12(10(21)11-9(5)14)8-2-6(13)7(19-8)4-18-20(15,16)17/h3,6-8,13H,2,4H2,1H3,(H,11,14,21)(H2,15,16,17)/p-2/t6-,7+,8+/m0/s1,NJOAZAGHIQNDNL-XLPZGREQSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,False,True,True,True,,US3,No,No
230,1-(5-O-phosphono-beta-D-ribofuranosyl)-2-selanylpyrimidin-4(1H)-one,pse2U,2000020551U,nucleotide,Uridine,ω,None,O[C@@H]1[C@@H](COP(=O)([O-])[O-])O[C@@H]([n]2c(=[Se])[nH]c(=O)cc2)[C@@H]1O,Natural,C9H11N2O8PSe,None,385.126,None,,,,,False,False,False,,-1.5182,169.71,21,not aplicable,9,3,InChI=1S/C9H13N2O8PSe/c12-5-1-2-11(9(21)10-5)8-7(14)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,10,12,21)(H2,15,16,17)/p-2/t4-,6-,7-,8-/m1/s1,OOOIYMZGLXSVKX-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,94,,,True,True,True,True,True,,RUS,No,Yes
278,1-(5-O-phosphono-beta-D-ribofuranosyl)-3-(1H-1,2,3-triazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine,7AT,,nucleotide,Unknown,㐐,137348582,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1[n]c(c2c1[n]c[n]c2N)-c1[nH][n][n]c1)(=O)[O-],Unnatural,C12H15N8O7P,None,412.271,None,,,,,False,False,False,,-2.0779,227.64,43,not aplicable,14,4,InChI=1S/C12H15N8O7P/c13-10-6-7(4-1-16-19-17-4)18-20(11(6)15-3-14-10)12-9(22)8(21)5(27-12)2-26-28(23,24)25/h1,3,5,8-9,12,21-22H,2H2,(H2,13,14,15)(H,16,17,19)(H2,23,24,25)/p-2/t5-,8-,9-,12-/m1/s1,WVKQOUHVRYIFOL-JJNLEZRASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,7AT,No,Yes
229,1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one,US5,,nucleotide,Unknown,㑉,49867807,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C(N=C([SeH])C=C1)=O)(=O)[O-],Unnatural,C9H13N2O8PSe,None,385.126,None,,,,,False,False,False,,-3.5020999999999987,151.34,34,not aplicable,10,3,InChI=1S/C9H13N2O8PSe/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/p-2/t4-,6-,7-,8-/m1/s1,ZCQCFKOZDRTETH-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,US5,No,Yes
187,1-(beta-D-ribofuranosyl)-2-thio-uracil-5'-phosphate,ps2U,2000002551U,nucleotide,Uridine,2,None,O=c1cc[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=S)[nH]1,Natural,C9H11N2O8PS,None,338.231,None,,,,,False,False,False,,-0.4892,201.8,21,not aplicable,10,3,InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(21)10-5)8-7(14)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,10,12,21)(H2,15,16,17)/p-2/t4-,6-,7-,8-/m1/s1,OEUXFECIJDETRF-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,100,,,True,True,True,True,True,,SUR,No,Yes
196,1-(beta-D-ribofuranosyl)-pyridin-4-one-5'-phosphate,ONE,,nucleotide,Unknown,㑊,49867441,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)C=C1)(=O)[O-],Unnatural,C10H14NO8P,None,305.178,None,,,,,False,False,False,,-1.4232000000000005,138.45000000000002,34,not aplicable,9,2,InChI=1S/C10H14NO8P/c12-6-1-3-11(4-2-6)10-9(14)8(13)7(19-10)5-18-20(15,16)17/h1-4,7-10,13-14H,5H2,(H2,15,16,17)/p-2/t7-,8-,9-,10-/m1/s1,SMHHXNJIRLTYFN-ZYUZMQFOSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,ONE,No,Yes
197,1-(beta-D-ribofuranosyl)-pyrimidin-2-one-5'-phosphate,PYO,,nucleotide,Unknown,㑋,16040244,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C(N=CC=C1)=O)(=O)[O-],Unnatural,C9H13N2O8P,None,306.166,None,,,,,False,False,False,,-2.0282,151.34,33,not aplicable,10,2,InChI=1S/C9H13N2O8P/c12-6-5(4-18-20(15,16)17)19-8(7(6)13)11-3-1-2-10-9(11)14/h1-3,5-8,12-13H,4H2,(H2,15,16,17)/p-2/t5-,6-,7-,8-/m1/s1,LBWXMAFPEFFHIJ-WCTZXXKLSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,PYO,No,Yes
8,1-methyl-3-(3-amino-3-carboxypropyl)pseudouridine,m1acp3Y,2000001309U,nucleoside,Uridine,α,None,C[n]1c(=O)[n](CCC(C(=O)O)N)c(=O)c([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c1,Natural,C14H21N3O8,359.1329,359.332,360.1407,,,,228,False,False,False,,-2.7967,177.24,25,not applicable,11,5,InChI=1S/C14H21N3O8/c1-16-4-6(11-10(20)9(19)8(5-18)25-11)12(21)17(14(16)24)3-2-7(15)13(22)23/h4,7-11,18-20H,2-3,5,15H2,1H3,(H,22,23)/t7?,8-,9-,10-,11+/m1/s1,CTPQMQZKRWLMRA-LYTXVXJPSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,methyl group,rRNA,,,,,343,,True,True,True,True,True,HMDB0000767,,No,Yes
343,1-methyl-3-(3-amino-3-carboxypropyl)pseudouridine-5'-monophosphate,pm1acp3Y,2001309551U,nucleotide,Uridine,α,None,C[n]1cc([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[n](CCC(N)C(=O)O)c1=O,Natural,C14H20N3O11P,None,437.296,None,,,,,False,False,False,,-1.8033,239.24,29,,14,4,InChI=1S/C14H22N3O11P/c1-16-4-6(12(20)17(14(16)23)3-2-7(15)13(21)22)11-10(19)9(18)8(28-11)5-27-29(24,25)26/h4,7-11,18-19H,2-3,5,15H2,1H3,(H,21,22)(H2,24,25,26)/p-2/t7?,8-,9-,10-,11+/m1/s1,BVRIEBGMUPJSJF-LYTXVXJPSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,8,,,True,True,True,True,True,,,No,Yes
83,1-methyladenosine,m1A,2000000001A,nucleoside,Adenosine,Ѣ,27476,C[n]1c(=N)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)cn2)nc1,Natural,C11H15N5O4,281.1124,281.268,282.1202,0,64 (Kellner 2014); 0,72 (Kellner 2014),between U and G (Kellner 2014, Kellner 2014),904,905,906,150,False,False,False,,-2.0395,129.41,20,not applicable,9,4,InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1,GFYLSDSUCHVORB-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,tRNA,Archaea,Eubacteria,Eukaryota,,m1A has a positive charge at neutral pH.,,204,,False,False,True,True,True,HMDB0003331,HMDB0003331,,No,Yes
22,1-methylguanosine,m1G,2000000001G,nucleoside,Guanosine,K,96373,CN1C(=O)c2[n]c[n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)c2N=C1N,Natural,C11H15N5O5,297.1073,297.267,298.1151,1,23 (Kellner 2014);  1,28 (Kellner 2014),between G and A (Kellner 2014, Kellner 2014),904,905,906,166,False,False,False,,-2.0951,148.65,21,not applicable,10,4,InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1,UTAIYTHAJQNQDW-KQYNXXCUSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,tRNA,Archaea,Eubacteria,Eukaryota,,,,214,,True,True,True,True,True,HMDB0001563,,No,Yes
26,1-methylinosine,m1I,2000000019A,nucleoside,Adenosine,O,65095,C[n]1c(=O)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)cn2)nc1,Natural,C11H14N4O5,282.0964,282.253,283.1042,1,24 (Kellner 2014),between G and A (Kellner 2014),904,905,151,False,False,False,,-2.2585,122.63,20,not applicable,9,3,InChI=1S/C11H14N4O5/c1-14-3-13-9-6(10(14)19)12-4-15(9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1,WJNGQIYEQLPJMN-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,other,tRNA,Eukaryota,,,,344,,False,False,True,True,True,HMDB0002721,HMDB0002721,,No,Yes
344,1-methylinosine-5'-monophosphate,pm1I,2000019551A,nucleotide,Adenosine,O,None,C[n]1cnc2c(nc[n]2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1=O,Natural,C11H13N4O8P,None,360.217,None,,,,,False,False,False,,-1.2651,184.63,24,,12,2,InChI=1S/C11H15N4O8P/c1-14-3-13-9-6(10(14)18)12-4-15(9)11-8(17)7(16)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,16-17H,2H2,1H3,(H2,19,20,21)/p-2/t5-,7-,8-,11-/m1/s1,CPKNFRPSNBOHIM-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,26,,,False,False,True,True,True,,,None,None
88,1-methylpseudouridine,m1Y,2000000019U,nucleoside,Uridine,],None,C[n]1c(=O)[nH]c(=O)c([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c1,Natural,C10H14N2O6,258.0852,258.228,259.093,None,None,,169/179/227/209,False,False,False,,-2.7724,124.78,18,not applicable,7,4,InChI=1S/C10H14N2O6/c1-12-2-4(9(16)11-10(12)17)8-7(15)6(14)5(3-13)18-8/h2,5-8,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,8+/m1/s1,UVBYMVOUBXYSFV-XUTVFYLZSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,ring modification,rRNA,tRNA,Archaea,Eukaryota,,None,,345,,True,True,True,True,True,HMDB0000767,,No,Yes
345,1-methylpseudouridine-5'-monophosphate,pm1Y,2000019551U,nucleotide,Uridine,],None,C[n]1cc([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C10H13N2O9P,None,336.192,None,,,,,False,False,False,,-1.779,186.78,22,,10,3,InChI=1S/C10H15N2O9P/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,8+/m1/s1,VORAOZTXNOXTGQ-XUTVFYLZSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,88,,,True,True,True,True,True,,,None,None
288,1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}pyrimidine-2,4(1H,3H)-dione,U4M,,nucleotide,Uridine,㑌,137350074,[O-]P(OC[C@]1(O[C@@H](N2C(=O)NC(=O)C=C2)[C@H](F)[C@@H]1O)C)(=O)[O-],Unnatural,C10H14FN2O8P,None,337.175,None,None,None,,None,False,False,False,,-1.3676000000000004,151.07999999999998,36,not aplicable,9,1,InChI=1S/C10H14FN2O8P/c1-10(4-20-22(17,18)19)7(15)6(11)8(21-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/p-2/t6-,7+,8-,10-/m1/s1,ZQJMYOGITIALJZ-IBCQBUCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,U4M,No,Yes
214,1N-methylguanosine-5'-monophosphate,pm1G,2000001551G,nucleotide,Guanosine,K,None,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1N=C(N)N(C2=O)C)(=O)[O-],Natural,C11H14N5O8P,None,375.231,None,,,,,False,False,False,,-1.1017,210.65,25,not aplicable,13,3,InChI=1S/C11H16N5O8P/c1-15-9(19)5-8(14-11(15)12)16(3-13-5)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14)(H2,20,21,22)/p-2/t4-,6-,7-,10-/m1/s1,RQNAZTAAOUHEIL-KQYNXXCUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,22,,,True,True,True,True,True,,1MG,No,Yes
296,2',5-dimethyluridine-5'-monophosphate,pm5Um,2000905551U,nucleotide,Uridine,Ħ,None,CO[C@H]1[C@H]([n]2c(=O)[nH]c(=O)c(C)c2)O[C@H](COP(=O)([O-])[O-])[C@H]1O,Natural,C11H15N2O9P,None,350.219,None,,,,,False,False,False,,-0.896,175.78,23,not aplicable,10,2,InChI=1S/C11H17N2O9P/c1-5-3-13(11(16)12-9(5)15)10-8(20-2)7(14)6(22-10)4-21-23(17,18)19/h3,6-8,10,14H,4H2,1-2H3,(H,12,15,16)(H2,17,18,19)/p-2/t6-,7-,8-,10-/m1/s1,AMKCISYJIZUJJQ-FDDDBJFASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,122,,,True,True,True,True,True,,2MU,No,Yes
306,2'-(N-acetamide)-cytidine-5'-monophosphate,M5M,,nucleotide,Cytidine,㐦,49867275,[O-]P(OC[C@H]1O[C@@H](N2C(=O)N=C(N)C=C2)[C@@H]([C@@H]1O)NC(=O)C)(=O)[O-],Unnatural,C11H17N4O8P,None,362.233,None,None,None,,None,False,False,False,,-2.302199999999999,186.23,41,not aplicable,12,3,InChI=1S/C11H17N4O8P/c1-5(16)13-8-9(17)6(4-22-24(19,20)21)23-10(8)15-3-2-7(12)14-11(15)18/h2-3,6,8-10,17H,4H2,1H3,(H,13,16)(H2,12,14,18)(H2,19,20,21)/p-2/t6-,8-,9-,10-/m1/s1,WPJHNTZXIXFENS-PEBGCTIMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,M5M,No,Yes
269,2'-F,4'-beta-OMe Uridine 5'-(dihydrogen phosphate),UFB,,nucleotide,Uridine,㑍,137350086,[O-]P(OC[C@@]1(O[C@@H](N2C(=O)NC(=O)C=C2)[C@H](F)[C@@H]1O)OC)(=O)[O-],Unnatural,C10H14FN2O9P,None,353.175,None,None,None,,None,False,False,False,,-1.7836,160.30999999999997,37,not aplicable,10,1,InChI=1S/C10H14FN2O9P/c1-20-10(4-21-23(17,18)19)7(15)6(11)8(22-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/p-2/t6-,7+,8-,10+/m1/s1,ZYOWQXVTIIKUDO-JIOCBJNQSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,UFB,No,Yes
280,2'-F-4'-OMe uridine 5'-monophosphate,UMO,,nucleotide,Uridine,㑎,118191227,[O-]P(OC[C@]1(O[C@@H](N2C(=O)NC(=O)C=C2)[C@H](F)[C@@H]1O)OC)(=O)[O-],Unnatural,C10H14FN2O9P,None,353.175,None,None,None,,None,False,False,False,,-1.7836,160.30999999999997,37,not aplicable,10,1,InChI=1S/C10H14FN2O9P/c1-20-10(4-21-23(17,18)19)7(15)6(11)8(22-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/p-2/t6-,7+,8-,10-/m1/s1,ZYOWQXVTIIKUDO-IBCQBUCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,UMO,No,Yes
256,2'-O-[(5'-phospho)ribosyl]adenosine-5'-monophosphate,pAr(p),2900255551A,nucleotide,Adenosine,ʩ,None,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1c[n]c2c1[n]c[n]c2N)(=O)[O-],Natural,C15H19N5O14P2,None,555.284,None,,,,,False,False,False,,-0.9487,322.46,36,not aplicable,19,4,InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(9(22)6(32-14)2-31-36(27,28)29)34-15-10(23)8(21)5(33-15)1-30-35(24,25)26/h3-6,8-11,14-15,21-23H,1-2H2,(H2,16,17,18)(H2,24,25,26)(H2,27,28,29)/p-4/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1,BHIWBSNWEZIHHL-ZQSHOCFMSA-J,True,True,True,True,True,True,True,True,True,True,,,,,,20,,,True,True,True,True,True,,RIA,No,Yes
183,2'-O-methyl-5-hydroxymethylcytidine,hm5Cm,2000009051C,nucleoside,Cytidine,¡,None,CO[C@H]1[C@H]([n]2cc(CO)c(N)nc2=O)O[C@H](CO)[C@H]1O,Natural,C11H17N3O6,287.1117,287.269,None,,,,,False,False,False,,-1.8354,140.06,20,not applicable,9,4,InChI=1S/C11H17N3O6/c1-19-8-7(17)6(4-16)20-10(8)14-2-5(3-15)9(12)13-11(14)18/h2,6-8,10,15-17H,3-4H2,1H3,(H2,12,13,18)/t6-,7-,8-,10-/m1/s1,YHOUCWSAAAAILW-FDDDBJFASA-N,True,True,True,True,True,True,True,True,True,True,,,,,,,366,958,True,True,True,True,True,HMDB0000982,,No,Yes
366,2'-O-methyl-5-hydroxymethylcytidine-5'-monophosphate,phm5Cm,2009051551C,nucleotide,Cytidine,¡,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1cc(CO)c(N)nc1=O,Natural,C11H16N3O9P,None,365.233,None,,,,,False,False,False,,-0.842,202.06,24,,12,3,InChI=1S/C11H18N3O9P/c1-21-8-7(16)6(4-22-24(18,19)20)23-10(8)14-2-5(3-15)9(12)13-11(14)17/h2,6-8,10,15-16H,3-4H2,1H3,(H2,12,13,17)(H2,18,19,20)/p-2/t6-,7-,8-,10-/m1/s1,UAIXJYVDIYEXOR-FDDDBJFASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,183,,,True,True,True,True,True,,,None,None
127,2'-O-methyladenosine,Am,2000000090A,nucleoside,Adenosine,ʍ,None,CO[C@H]1[C@H]([n]2cnc3c2ncnc3N)O[C@H](CO)[C@H]1O,Natural,C11H15N5O4,281.1124,281.268,282.1195,1,59 (Kellner 2014); 1,83 (Kellner 2014),between A and m6A (Kellner 2014, Kellner 2014),904,905,906,136,False,False,False,,-0.7447,128.54,20,not applicable,9,3,InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1,FPUGCISOLXNPPC-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,snRNA,snoRNA,tRNA,Eubacteria,Eukaryota,,,,207,,True,True,True,True,True,HMDB0004326,,No,Yes
207,2'-O-methyladenosine 5'-(dihydrogen phosphate),pAm,2000090551A,nucleotide,Adenosine,ʍ,None,[O-]P(OC[C@H]1O[C@@H]([n]2c3[n]c[n]c(N)c3[n]c2)[C@@H]([C@@H]1O)OC)(=O)[O-],Natural,C11H14N5O7P,None,359.232,None,,,,,False,False,False,,0.2487,190.54,24,not aplicable,12,2,InChI=1S/C11H16N5O7P/c1-21-8-7(17)5(2-22-24(18,19)20)23-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,20)/p-2/t5-,7-,8-,11-/m1/s1,TVGFEBXIZUYVFR-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,127,,,True,True,True,True,True,,A2M,No,Yes
84,2'-O-methylcytidine,Cm,2000000090C,nucleoside,Cytidine,B,150971,CO[C@H]1[C@H]([n]2ccc(N)nc2=O)O[C@H](CO)[C@H]1O,Natural,C10H15N3O5,257.1012,257.243,258.1082,0,90 (Kellner 2014); 0,92 (Kellner 2014),between U and G (Kellner 2014, Kellner 2014),904,905,906,112,False,False,False,,-1.3277,119.83,18,not applicable,8,3,InChI=1S/C10H15N3O5/c1-17-8-7(15)5(4-14)18-9(8)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,9-/m1/s1,RFCQJGFZUQFYRF-ZOQUXTDFSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,snRNA,tRNA,Eubacteria,Eukaryota,,,,201,,True,True,True,True,True,HMDB0000089,,No,Yes
28,2'-O-methylguanosine,Gm,2000000090G,nucleoside,Guanosine,#,188959,CO[C@H]1[C@H]([n]2cnc3c2nc(N)[nH]c3=O)O[C@H](CO)[C@H]1O,Natural,C11H15N5O5,297.1073,297.267,298.1144,1,23 (Kellner 2014); 1,28 (Kellner 2014),between G and A (Kellner 2014, Kellner 2014),904,905,906,152,False,False,False,,-1.4514,148.51,21,not applicable,9,4,InChI=1S/C11H15N5O5/c1-20-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1,OVYNGSFVYRPRCG-KQYNXXCUSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,snRNA,tRNA,Eubacteria,Eukaryota,,,,193,,True,True,True,True,True,HMDB0006038,,No,Yes
128,2'-O-methylinosine,Im,2000000909A,nucleoside,Adenosine,Ш,None,CO[C@H]1[C@H]([n]2cnc3c2nc[nH]c3=O)O[C@H](CO)[C@H]1O,Natural,C11H14N4O5,282.0964,282.253,283.1042,,,,137,False,False,False,,-1.6148,122.49,20,not applicable,8,3,InChI=1S/C11H14N4O5/c1-19-8-7(17)5(2-16)20-11(8)15-4-14-6-9(15)12-3-13-10(6)18/h3-5,7-8,11,16-17H,2H2,1H3,(H,12,13,18)/t5-,7-,8-,11-/m1/s1,HPHXOIULGYVAKW-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,other,,,,,,367,,True,True,True,True,True,HMDB0000195,,No,Yes
367,2'-O-methylinosine-5'-monophosphate,pIm,2000909551A,nucleotide,Adenosine,Ш,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1cnc2c(=O)[nH]cnc12,Natural,C11H13N4O8P,None,360.217,None,,,,,False,False,False,,-0.6214,184.49,24,,11,2,InChI=1S/C11H15N4O8P/c1-21-8-7(16)5(2-22-24(18,19)20)23-11(8)15-4-14-6-9(15)12-3-13-10(6)17/h3-5,7-8,11,16H,2H2,1H3,(H,12,13,17)(H2,18,19,20)/p-2/t5-,7-,8-,11-/m1/s1,MWHCPXIIGADQLW-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,128,,,True,True,True,True,True,,,None,None
103,2'-O-methylpseudouridine,Ym,2000000909U,nucleoside,Uridine,Z,None,CO[C@H]1[C@H](c2c[nH]c(=O)[nH]c2=O)O[C@H](CO)[C@H]1O,Natural,C10H14N2O6,258.0852,258.228,259.093,,,,223,False,False,False,,-2.1287,124.64,18,not applicable,6,4,InChI=1S/C10H14N2O6/c1-17-8-6(14)5(3-13)18-7(8)4-2-11-10(16)12-9(4)15/h2,5-8,13-14H,3H2,1H3,(H2,11,12,15,16)/t5-,6-,7+,8-/m1/s1,WGNUTGFETAXDTJ-OOJXKGFFSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,ring modification,rRNA,snRNA,tRNA,,,,,368,,True,True,True,True,True,HMDB0000767,,No,Yes
368,2'-O-methylpseudouridine-5'-monophosphate,pYm,2000909551U,nucleotide,Uridine,Z,None,CO[C@H]1[C@H](c2c[nH]c(=O)[nH]c2=O)O[C@H](COP(=O)([O-])[O-])[C@H]1O,Natural,C10H13N2O9P,None,336.192,None,,,,,False,False,False,,-1.1353,186.64,22,,9,3,InChI=1S/C10H15N2O9P/c1-19-8-6(13)5(3-20-22(16,17)18)21-7(8)4-2-11-10(15)12-9(4)14/h2,5-8,13H,3H2,1H3,(H2,16,17,18)(H2,11,12,14,15)/p-2/t5-,6-,7+,8-/m1/s1,VLDJGRCZRDFORR-OOJXKGFFSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,103,,,True,True,True,True,True,,UY1,None,None
50,2'-O-methyluridine,Um,2000000090U,nucleoside,Uridine,J,None,CO[C@H]1[C@H]([n]2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O,Natural,C10H14N2O6,258.0852,258.228,259.0926,1,10 (Kellner 2014); 1,09 (Kellner 2014),between G and A (Kellner 2014, Kellner 2014),904,905,906,113,False,False,False,,-2.1978,113.78,18,not applicable,7,3,InChI=1S/C10H14N2O6/c1-17-8-7(15)5(4-13)18-9(8)12-3-2-6(14)11-10(12)16/h2-3,5,7-9,13,15H,4H2,1H3,(H,11,14,16)/t5-,7-,8-,9-/m1/s1,SXUXMRMBWZCMEN-ZOQUXTDFSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,snRNA,snoRNA,tRNA,Archaea,Eubacteria,Eukaryota,,,,205,,True,True,True,True,True,HMDB0000296,,No,Yes
179,2'-O-methyluridine 5-oxyacetic acid methyl ester,mcmo5Um,2000090503U,nucleoside,Uridine,Ͽ,None,COC(COc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OC)c(=O)[nH]c1=O)=O,Natural,C13H18N2O9,346.1012,346.29,None,,,,,False,False,False,,-2.646,149.31,24,not applicable,10,3,InChI=1S/C13H18N2O9/c1-21-8(17)5-23-6-3-15(13(20)14-11(6)19)12-10(22-2)9(18)7(4-16)24-12/h3,7,9-10,12,16,18H,4-5H2,1-2H3,(H,14,19,20)/t7-,9-,10-,12-/m1/s1,KMWJTPJUZPBLCW-UGKPPGOTSA-N,True,True,True,True,True,True,True,True,True,True,,,,,,,369,896,True,True,True,True,True,HMDB0000296,,No,Yes
369,2'-O-methyluridine 5-oxyacetic acid methyl ester-5'-monophosphate,pmcmo5Um,2090503551U,nucleotide,Uridine,Ͽ,None,COC(=O)COc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2OC)c(=O)[nH]c1=O,Natural,C13H17N2O12P,None,424.254,None,,,,,False,False,False,,-1.6526,211.31,28,,13,2,InChI=1S/C13H19N2O12P/c1-23-8(16)5-25-6-3-15(13(19)14-11(6)18)12-10(24-2)9(17)7(27-12)4-26-28(20,21)22/h3,7,9-10,12,17H,4-5H2,1-2H3,(H,14,18,19)(H2,20,21,22)/p-2/t7-,9-,10-,12-/m1/s1,UDIWAMGDCUMLNT-UGKPPGOTSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,179,,,True,True,True,True,True,,,None,None
20,2'-O-ribosyladenosine (phosphate),Ar(p),2000000000A,nucleotide,Adenosine,ʩ,None,[O-]P(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1[C@@H]([C@H](O[C@H]1[n]1c2[n]c[n]c(c2[n]c1)N)CO)O)(=O)[O-],Natural,C15H20N5O11P,479.1053,477.32,None,,,,,False,False,False,,-1.9421,260.46,32,not applicable,16,5,InChI=1S/C15H22N5O11P/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(9(23)5(1-21)29-14)31-15-10(24)8(22)6(30-15)2-28-32(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,17,18)(H2,25,26,27)/p-2/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1,OTKILVSIHNCMGB-ZQSHOCFMSA-L,True,True,True,True,True,True,True,True,True,True,glycosyl group,tRNA,Eukaryota,,,,256,,True,True,True,True,True,HMDB0000045,,No,Yes
34,2'-O-ribosylguanosine (phosphate),Gr(p),2000000900G,nucleotide,Guanosine,ℑ,131365,Nc1[nH]c(=O)c2c([n]([C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O4)[C@H](O)[C@@H](CO)O3)cn2)n1,Natural,C15H20N5O12P,495.1003,493.319,None,,,,,False,False,False,,-2.6488,280.43,33,not applicable,16,6,InChI=1S/C15H22N5O12P/c16-15-18-11-6(12(25)19-15)17-3-20(11)13-10(8(23)4(1-21)30-13)32-14-9(24)7(22)5(31-14)2-29-33(26,27)28/h3-5,7-10,13-14,21-24H,1-2H2,(H2,26,27,28)(H3,16,18,19,25)/p-2/t4-,5-,7-,8-,9-,10-,13-,14+/m1/s1,TVGUROHJABCRTB-MHJQXXNXSA-L,True,True,True,True,True,True,True,True,True,True,glycosyl group,,,,,,370,,True,True,True,True,True,HMDB0001397,,No,Yes
370,2'-O-ribosylguanosine (phosphate)-5'-monophosphate,pGr(p),2900255551G,nucleotide,Guanosine,ℑ,None,Nc1nc(=O)c2c([n]([C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O4)[C@H](O)[C@@H](COP(=O)([O-])[O-])O3)cn2)n1,Natural,C15H18N5O15P2,None,570.275,None,,,,,False,False,False,,-2.1152,326.11,37,,19,4,InChI=1S/C15H22N5O15P2/c16-15-18-11-6(12(24)19-15)17-3-20(11)13-10(8(22)5(33-13)2-32-37(28,29)30)35-14-9(23)7(21)4(34-14)1-31-36(25,26)27/h3-5,7-10,13-14,21-23H,1-2H2,(H2,16,18)(H2,25,26,27)(H2,28,29,30)/p-4/t4-,5-,7-,8-,9-,10-,13-,14+/m1/s1,ULXYEEHNNAENMK-MHJQXXNXSA-J,True,True,True,True,True,True,True,True,True,True,,,,,,34,,,False,False,False,False,False,,,None,None
273,2'-OMe,4'beta-OMe uridine 5'-(dihydrogen phosphate),UOB,,nucleotide,Uridine,㑏,137350092,[O-]P(OC[C@]1(OC)O[C@@H](N2C(=O)NC(=O)C=C2)[C@@H]([C@@H]1O)OC)(=O)[O-],Unnatural,C11H17N2O10P,None,366.218,None,None,None,,None,False,False,False,,-2.106699999999999,169.54,41,not aplicable,11,2,InChI=1S/C11H17N2O10P/c1-20-7-8(15)11(21-2,5-22-24(17,18)19)23-9(7)13-4-3-6(14)12-10(13)16/h3-4,7-9,15H,5H2,1-2H3,(H,12,14,16)(H2,17,18,19)/p-2/t7-,8+,9-,11+/m1/s1,PQPFDVLUCHRYPP-LOKLDPHHSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,UOB,No,Yes
283,2'-SE-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate),XUG,,nucleotide,Guanosine,㐇,137350176,[O-]P(OC[C@H]1O[C@@H]([n]2c3N=C(N)NC(=O)c3[n]c2)[C@@H]([C@@H]1O)[Se]C)(=O)[O-],Unnatural,C11H16N5O7PSe,None,437.184,None,,,,,False,False,False,,-1.3897999999999997,185.81,41,not aplicable,12,2,InChI=1S/C11H16N5O7PSe/c1-25-7-6(17)4(2-22-24(19,20)21)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/p-2/t4-,6-,7-,10-/m1/s1,VGEIDTKNQDSGED-KQYNXXCUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,XUG,Yes,Yes
242,2'-amine-cytidine-5'-monophosphate,A5M,,nucleotide,Cytidine,㐧,49866588,[O-]P(OC[C@H]1O[C@H]([C@H](N)[C@@H]1O)N1C(N=C(N)C=C1)=O)(=O)[O-],Unnatural,C9H15N4O7P,None,320.196,None,None,None,,None,False,False,False,,-2.4795999999999982,183.15,36,not aplicable,11,3,InChI=1S/C9H15N4O7P/c10-5-1-2-13(9(15)12-5)8-6(11)7(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14H,3,11H2,(H2,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1,HGDDYYFPFZSUMP-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,A5M,No,Yes
266,2'-amino-2'-deoxyadenosine,2AD,,nucleotide,Adenosine,㐑,447594,N[C@H]1[C@H]([n]2c3c(c([n]c[n]3)N)[n]c2)O[C@H](COP(=O)([O-])[O-])[C@H]1O,Unnatural,C10H14N6O3,None,344.221,None,None,None,,None,False,False,False,,-2.0135999999999985,145.33,33,not aplicable,12,3,InChI=1S/C10H15N6O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/p-2/t4-,5-,7-,10-/m1/s1,WCNLOVDQFDDWLB-QYYRPYCUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,2AD,No,Yes
303,2'-deoxy-2'-(4-ethyl-1H-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate),A9Z,,nucleotide,Adenosine,㐒,137348913,[O-]P(OC[C@H]1O[C@@H]([n]2c3[n]c[n]c(N)c3[n]c2)[C@@H]([C@@H]1O)[n]1[n][n]c(c1)CC)(=O)[O-],Unnatural,C14H19N8O6P,None,424.309,None,None,None,,None,False,False,False,,-0.8287,196.55,48,not aplicable,14,2,InChI=1S/C14H19N8O6P/c1-2-7-3-22(20-19-7)10-11(23)8(4-27-29(24,25)26)28-14(10)21-6-18-9-12(15)16-5-17-13(9)21/h3,5-6,8,10-11,14,23H,2,4H2,1H3,(H2,15,16,17)(H2,24,25,26)/p-2/t8-,10-,11-,14-/m1/s1,TWWQOUJMYDQJOB-IDTAVKCVSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,A9Z,No,Yes
261,2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate),AF2,,nucleotide,Adenosine,㐀,None,[O-]P(OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2N)(=O)[O-],Unnatural,C10H11FN5O6P,None,347.196,None,,,,,False,False,False,,0.5718,181.31,23,not aplicable,11,2,InChI=1S/C10H13FN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/p-2/t4-,5-,7-,10-/m1/s1,WMEBOUQKZKATDW-QYYRPYCUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,AF2,Yes,Yes
319,2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate),CFZ,,nucleotide,Cytidine,㐄,49866784,[O-]P(OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N1C(N=C(N)C=C1)=O)(=O)[O-],Unnatural,C9H13FN3O7P,None,323.172,None,None,None,,None,False,False,False,,-1.4688000000000003,157.13,34,not aplicable,10,2,InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1,KTAATIGPZHTGOP-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,CFZ,Yes,Yes
320,2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate),UFT,,nucleotide,Uridine,㐋,44448730,[O-]P(OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N1C(NC(=O)C=C1)=O)(=O)[O-],Unnatural,C9H12FN2O8P,None,323.149,None,None,None,,None,False,False,False,,-1.7577,151.08,33,not aplicable,9,1,InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1,RTGGYPQTXNSBPD-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,UFT,Yes,Yes
311,2'-deoxycytidine-5'-monophosphate,,,nucleotide,Cytidine,,None,Nc1cc[n]([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)C2)c(=O)n1,Natural,C9H12N3O7P,None,305.181,None,None,None,,None,False,False,False,,0.0408,172.6,20,not aplicable,10,2,InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/p-2/t5-,6+,8+/m0/s1,NCMVOABPESMRCP-SHYZEUOFSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,DCM,Yes,No
251,2'-deoxyinosine-5'-monophosphate,,,nucleotide,Adenosine,,None,[C@H]1([n]2cnc3c2ncnc3=O)C[C@H](O)[C@@H](COP([O-])([O-])=O)O1,Natural,C10H10N4O7P,None,329.183,None,None,None,,None,False,False,False,,-2.4644,169.08,22,not aplicable,11,1,InChI=1S/C10H12N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H2,17,18,19)/p-2/t5-,6+,7+/m0/s1,UQRFHWXUWZMIPK-RRKCRQDMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,False,False,False,False,False,,DI,Yes,No
312,2'-deoxyuridine-5'-monophosphate,,,nucleotide,Uridine,,None,[C@@H]1([n]2ccc(=O)nc2=O)O[C@H](COP([O-])([O-])=O)[C@@H](O)C1,Natural,C9H10N2O8P,None,305.158,None,None,None,,None,False,False,False,,-0.434,149.07,20,not aplicable,9,1,InChI=1S/C9H12N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H2,15,16,17)/p-2/t5-,6+,8+/m0/s1,RDILXKJKGMIYFZ-SHYZEUOFSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,False,False,False,False,False,,UMP,Yes,No
324,2'-methylselenyl-2'-deoxyuridine-5'-phosphate,UMS,,nucleotide,Uridine,㐌,49867795,[O-]P(OC[C@H]1O[C@@H](N2C(=O)NC(=O)C=C2)[C@@H]([C@@H]1O)[Se]C)(=O)[O-],Unnatural,C10H15N2O8PSe,None,398.145,None,None,None,,None,False,False,False,,-1.5549999999999995,151.08,37,not aplicable,9,1,InChI=1S/C10H15N2O8PSe/c1-22-8-7(14)5(4-19-21(16,17)18)20-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,18)/p-2/t5-,7-,8-,9-/m1/s1,PADIGPKUSVFCBC-ZOQUXTDFSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,UMS,Yes,Yes
174,2'3'-cyclic phosphate end,N2'3'cp,2000003377N,nucleotide,Adenosine, Uridine, Cytidine, Guanosine,Ғ,None,[O-]P([O-])(OC[C@H]1O[C@@H]%91[C@@H]2OP([O-])(O[C@H]12)=O)=O.[*]%91,Natural,C5H6O9P2,None,272.043,None,None,None,,None,False,False,False,,0.9888,159.86,17,unspecified residue,9,0,,,True,True,True,True,True,True,True,True,True,True,,,,,,,,,False,False,True,True,True,,,No,Yes
136,2,8-dimethyladenosine,m2,8A,2000000028A,nucleoside,Adenosine,±,None,Cc1nc2c(N)nc(C)nc2[n]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C12H17N5O4,295.1281,295.294,296.1358,,,,164,False,False,False,,-0.782,139.54,21,not applicable,9,4,InChI=1S/C12H17N5O4/c1-4-14-10(13)7-11(15-4)17(5(2)16-7)12-9(20)8(19)6(3-18)21-12/h6,8-9,12,18-20H,3H2,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1,FGMBEEFIKCGALL-WOUKDFQISA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,Eubacteria,,,,371,259,True,True,True,True,True,HMDB0000050,,No,Yes
371,2,8-dimethyladenosine-5'-monophosphate,pm2,8A,2000028551A,nucleotide,Adenosine,±,None,Cc1nc(N)c2nc(C)[n]([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2n1,Natural,C12H16N5O7P,None,373.259,None,,,,,False,False,False,,0.2114,201.54,25,,12,3,InChI=1S/C12H18N5O7P/c1-4-14-10(13)7-11(15-4)17(5(2)16-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15)(H2,20,21,22)/p-2/t6-,8-,9-,12-/m1/s1,YUHKBTJEYBIOJY-WOUKDFQISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,136,,,True,True,True,True,True,,,None,None
182,2- methylthiomethylenethio-N6-isopentenyl-adenosine,msms2i6A,2000021161A,nucleoside,Adenosine,£,None,CC(C)=CCNc1nc(SCSC)nc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C17H25N5O4S2,427.1347,427.542,428.0,3.56,after m6A,,,False,False,False,,1.3015,176.15,28,not applicable,11,4,InChI=1S/C17H25N5O4S2/c1-9(2)4-5-18-14-11-15(21-17(20-14)28-8-27-3)22(7-19-11)16-13(25)12(24)10(6-23)26-16/h4,7,10,12-13,16,23-25H,5-6,8H2,1-3H3,(H,18,20,21)/t10-,12-,13-,16-/m1/s1,NFWRNKCNTZDCAI-XNIJJKJLSA-N,True,True,True,True,True,True,True,True,True,True,,,,,,,372,939,True,True,True,True,True,HMDB0030388,,No,Yes
372,2- methylthiomethylenethio-N6-isopentenyl-adenosine-5'-monophosphate,pmsms2i6A,2021161551A,nucleotide,Adenosine,£,None,CSCSc1nc(NCC=C(C)C)c2nc[n]([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2n1,Natural,C17H24N5O7PS2,None,505.506,None,,,,,False,False,False,,2.2949,238.15,32,,14,3,InChI=1S/C17H26N5O7PS2/c1-9(2)4-5-18-14-11-15(21-17(20-14)32-8-31-3)22(7-19-11)16-13(24)12(23)10(29-16)6-28-30(25,26)27/h4,7,10,12-13,16,23-24H,5-6,8H2,1-3H3,(H,18,20,21)(H2,25,26,27)/p-2/t10-,12-,13-,16-/m1/s1,XOLURCUASUTVMS-XNIJJKJLSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,182,,,True,True,True,True,True,,,None,None
275,2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one,GMX,,nucleotide,Guanosine,㐵,155804439,[O-]P(O[C@H](C)[C@H]1O[C@@H]([n]2c3NC(N)=NC(=O)c3[n]c2)[C@H](O)[C@@H]1O)(=O)[O-],Unnatural,C11H16N5O8P,None,374.223,None,,,,,False,False,False,,-2.181199999999999,206.04,41,not aplicable,13,3,InChI=1S/C11H16N5O8P/c1-3(24-25(20,21)22)7-5(17)6(18)10(23-7)16-2-13-4-8(16)14-11(12)15-9(4)19/h2-3,5-7,10,17-18H,1H3,(H2,20,21,22)(H3,12,14,15,19)/p-2/t3-,5+,6-,7-,10-/m1/s1,QYBUIBIHUIWDID-KPCPHYELSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,GMX,No,Yes
195,2-amino-9-[2-deoxyribofuranosyl]-9H-purine-5'-monophosphate,2PR,,nucleotide,Unknown,㐈,49866471,[O-]P(OC[C@H]1O[C@H](C[C@@H]1O)[n]1c[n]c2c1[n]c(N)[n]c2)(=O)[O-],Unnatural,C10H14N5O6P,None,329.206,None,,,,,False,False,False,,-0.8338000000000001,165.84,36,not aplicable,11,2,InChI=1S/C10H14N5O6P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,11,12,14)(H2,17,18,19)/p-2/t6-,7+,8+/m0/s1,XLBUIHNMZIQVTK-XLPZGREQSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,2PR,Yes,Yes
263,2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one,TG,,nucleotide,Guanosine,㐶,155289234,NC1NC(=O)c2nc[n]([C@H]3[C@H](O)[C@@H](OP(=O)([O-])[O-])CO3)c2N=1,Unnatural,C9H11N5O7P,None,330.171,None,None,None,,None,False,False,False,,-1.7601,182.65,34,not aplicable,12,2,InChI=1S/C9H12N5O7P/c10-9-12-6-4(7(16)13-9)11-2-14(6)8-5(15)3(1-20-8)21-22(17,18)19/h2-3,5,8,15H,1H2,(H2,17,18,19)(H3,10,12,13,16)/p-2/t3-,5+,8+/m0/s1,VUXXJAQCUYFTOP-OTEWCHCRSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,TG,No,Yes
166,2-geranylthiouridine,ges2U,2000000021U,nucleoside,Uridine,Γ,None,CC(C)=CCC/C(/C)=C/CSc1nc(=O)cc[n]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C19H28N2O5S,396.1719,396.501,397.1797,,,,265,False,False,False,,1.6396,130.11,27,not applicable,8,3,InChI=1S/C19H28N2O5S/c1-12(2)5-4-6-13(3)8-10-27-19-20-15(23)7-9-21(19)18-17(25)16(24)14(11-22)26-18/h5,7-9,14,16-18,22,24-25H,4,6,10-11H2,1-3H3/b13-8+/t14-,16-,17-,18-/m1/s1,KFZLIRUEFHTLEW-ZGFVZBPKSA-N,True,True,True,True,True,True,True,True,True,True,sulphur,hydrocarbon,,Eubacteria,,An intermediate in the synthesis of cmnm5ges2U and mnm5ges2U.,,373,740,741,True,True,True,True,True,HMDB0004813,,No,Yes
373,2-geranylthiouridine-5'-monophosphate,pges2U,2000021551U,nucleotide,Uridine,Γ,None,CC(C)=CCC/C(/C)=C/CSc1nc(=O)cc[n]1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C19H27N2O8PS,None,474.465,None,,,,,False,False,False,,2.633,192.11,31,,11,2,InChI=1S/C19H29N2O8PS/c1-12(2)5-4-6-13(3)8-10-31-19-20-15(22)7-9-21(19)18-17(24)16(23)14(29-18)11-28-30(25,26)27/h5,7-9,14,16-18,23-24H,4,6,10-11H2,1-3H3,(H2,25,26,27)/p-2/b13-8+/t14-,16-,17-,18-/m1/s1,ZBZBBSXVDSXVMC-ZGFVZBPKSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,166,,,True,True,True,True,True,,,None,None
101,2-lysidine,k2C,2000000021C,nucleoside,Cytidine,},None,N[C@H](C(=O)O)CCCCN=c1[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)ccc(N)n1,Natural,C15H25N5O6,371.1805,371.389,372.1883,1,14 (Kellner 2014),between G and A (Kellner 2014),904,240,False,False,False,,-1.1588,189.44,26,not applicable,11,6,InChI=1S/C15H25N5O6/c16-8(14(24)25)3-1-2-5-18-15-19-10(17)4-6-20(15)13-12(23)11(22)9(7-21)26-13/h4,6,8-9,11-13,21-23H,1-3,5,7,16H2,(H,24,25)(H2,17,18,19)/t8-,9+,11+,12+,13+/m0/s1,MDWUIKMWKDMPDE-IINAIABHSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,tRNA,Eubacteria,,,,346,,True,True,True,True,True,HMDB0000089,,No,Yes
346,2-lysidine-5'-monophosphate,pk2C,2000021551C,nucleotide,Cytidine,},None,Nc1cc[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=NCCCC[C@H](N)C(=O)O)n1,Natural,C15H24N5O9P,None,449.353,None,,,,,False,False,False,,-0.1654,251.44,30,,14,5,InChI=1S/C15H26N5O9P/c16-8(14(23)24)3-1-2-5-18-15-19-10(17)4-6-20(15)13-12(22)11(21)9(29-13)7-28-30(25,26)27/h4,6,8-9,11-13,21-22H,1-3,5,7,16H2,(H,23,24)(H2,17,18,19)(H2,25,26,27)/p-2/t8-,9+,11+,12+,13+/m0/s1,RKOISILXSYNZKS-IINAIABHSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,101,,,True,True,True,True,True,,,None,None
37,2-methyladenosine,m2A,2000000002A,nucleoside,Adenosine,ɿ,261450,Cc1nc2c(nc[n]2[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c(N)n1,Natural,C11H15N5O4,281.1124,281.268,282.1202,1,65 (Kellner 2014); 1,91 (Kellner 2014),between A and m6A (Kellner 2014, Kellner 2014),904,905,906,150,False,False,False,,-1.0904,139.54,20,not applicable,9,4,InChI=1S/C11H15N5O4/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(19)7(18)5(2-17)20-11/h3,5,7-8,11,17-19H,2H2,1H3,(H2,12,14,15)/t5-,7-,8-,11-/m1/s1,IQZWKGWOBPJWMX-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,tRNA,Eubacteria,,,,219,,True,True,True,True,True,HMDB0000050,,No,Yes
219,2-methyladenosine-5'-monophosphate,pm2A,2000002551A,nucleotide,Adenosine,ɿ,None,Cc1nc2c(nc[n]2[C@H]2[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(N)n1,Natural,C11H14N5O7P,None,359.232,None,,,,,False,False,False,,-0.097,201.54,24,not aplicable,12,3,InChI=1S/C11H16N5O7P/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/p-2/t5-,7-,8-,11-/m1/s1,DEYSCYWEHGTTSA-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,37,,,True,True,True,True,True,,2MA,No,Yes
180,2-methylthio cyclic N6-threonylcarbamoyladenosine,ms2ct6A,2000002164A,nucleoside,Adenosine,ÿ,None,CSc1nc2c(nc[n]2[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c(C2C(=O)[C@H]([C@H](O)C)NC2=O)n1,Natural,C17H21N5O7S,439.1162,439.443,None,,,,,False,False,False,,-1.9796,205.22,30,not applicable,13,5,InChI=1S/C17H21N5O7S/c1-5(24)8-12(26)7(15(28)19-8)9-10-14(21-17(20-9)30-2)22(4-18-10)16-13(27)11(25)6(3-23)29-16/h4-8,11,13,16,23-25,27H,3H2,1-2H3,(H,19,28)/t5-,6-,7?,8+,11-,13-,16-/m1/s1,MNAMMHASXMZOKI-WVBGSMQSSA-N,True,True,True,True,True,True,True,True,True,True,,,,,,,374,930,True,True,True,True,True,HMDB0041623,,No,Yes
374,2-methylthio cyclic N6-threonylcarbamoyladenosine-5'-monophosphate,pms2ct6A,2002164551A,nucleotide,Adenosine,ÿ,None,CSc1nc(C2C(=O)N[C@@H]([C@@H](C)O)C2=O)c2nc[n]([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2n1,Natural,C17H20N5O10PS,None,517.407,None,,,,,False,False,False,,-0.9862,267.22,34,,16,4,InChI=1S/C17H22N5O10PS/c1-5(23)8-12(25)7(15(27)19-8)9-10-14(21-17(20-9)34-2)22(4-18-10)16-13(26)11(24)6(32-16)3-31-33(28,29)30/h4-8,11,13,16,23-24,26H,3H2,1-2H3,(H,19,27)(H2,28,29,30)/p-2/t5-,6-,7?,8+,11-,13-,16-/m1/s1,LBJXCOJHSQYHRF-WVBGSMQSSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,180,,,True,True,True,True,True,,,None,None
126,2-methylthio-N6-(cis-hydroxyisopentenyl) adenosine,ms2io6A,2000002160A,nucleoside,Adenosine,≠,None,CC(CO)=CCNc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C16H23N5O5S,397.142,397.449,398.1498,3,19 (Kellner 2014),after m6A (Kellner 2014),904,266,False,False,False,,-0.4168,171.08,27,not applicable,11,5,InChI=1S/C16H23N5O5S/c1-8(5-22)3-4-17-13-10-14(20-16(19-13)27-2)21(7-18-10)15-12(25)11(24)9(6-23)26-15/h3,7,9,11-12,15,22-25H,4-6H2,1-2H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1,QEWSGVMSLPHELX-SDBHATRESA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,other,other,tRNA,Eubacteria,,,,375,,True,True,True,True,True,HMDB0030388,,No,Yes
375,2-methylthio-N6-(cis-hydroxyisopentenyl) adenosine-5'-monophosphate,pms2io6A,2002160551A,nucleotide,Adenosine,≠,None,CSc1nc(NCC=C(C)CO)c2nc[n]([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2n1,Natural,C16H22N5O8PS,None,475.413,None,,,,,False,False,False,,0.5766,233.08,31,,14,4,InChI=1S/C16H24N5O8PS/c1-8(5-22)3-4-17-13-10-14(20-16(19-13)31-2)21(7-18-10)15-12(24)11(23)9(29-15)6-28-30(25,26)27/h3,7,9,11-12,15,22-24H,4-6H2,1-2H3,(H,17,19,20)(H2,25,26,27)/p-2/t9-,11-,12-,15-/m1/s1,SBHUFFXGLLCMFX-SDBHATRESA-L,True,True,True,True,True,True,True,True,True,True,,,,,,126,,,True,True,True,True,True,,,None,None
79,2-methylthio-N6-hydroxynorvalylcarbamoyladenosine,ms2hn6A,2000002163A,nucleoside,Adenosine,≈,None,CCC(O)C(NC(Nc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=O)C(O)=O,Natural,C17H24N6O8S,472.1376,472.473,473.1454,,,,341,False,False,False,,-1.0308,237.48,32,not applicable,15,7,InChI=1S/C17H24N6O8S/c1-3-6(25)8(15(28)29)19-16(30)20-12-9-13(22-17(21-12)32-2)23(5-18-9)14-11(27)10(26)7(4-24)31-14/h5-8,10-11,14,24-27H,3-4H2,1-2H3,(H,28,29)(H2,19,20,21,22,30)/t6?,7-,8?,10-,11-,14-/m1/s1,AOKHBNWSFNLETG-DGTGAXRRSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,heavy atom,other,other,,,,,,376,879,True,True,True,True,True,HMDB0041623,,No,Yes
376,2-methylthio-N6-hydroxynorvalylcarbamoyladenosine-5'-monophosphate,pms2hn6A,2002163551A,nucleotide,Adenosine,≈,None,CCC(O)C(NC(=O)Nc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O)C(=O)O,Natural,C17H23N6O11PS,None,550.437,None,,,,,False,False,False,,-0.0374,299.48,36,,18,6,InChI=1S/C17H25N6O11PS/c1-3-6(24)8(15(27)28)19-16(29)20-12-9-13(22-17(21-12)36-2)23(5-18-9)14-11(26)10(25)7(34-14)4-33-35(30,31)32/h5-8,10-11,14,24-26H,3-4H2,1-2H3,(H,27,28)(H2,30,31,32)(H2,19,20,21,22,29)/p-2/t6?,7-,8?,10-,11-,14-/m1/s1,UTSQGHCKOAXZIX-DGTGAXRRSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,79,,,True,True,True,True,True,,,None,None
240,2-methylthio-N6-isopentenyl-adenosine-5'-monophosphate,pms2i6A,2002161551A,nucleotide,Adenosine,*,None,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c(SC)[n]c2NCC=C(C)C)(=O)[O-],Natural,C16H22N5O7PS,None,459.414,None,,,,,False,False,False,,1.6042,212.85,30,not aplicable,13,3,InChI=1S/C16H24N5O7PS/c1-8(2)4-5-17-13-10-14(20-16(19-13)30-3)21(7-18-10)15-12(23)11(22)9(28-15)6-27-29(24,25)26/h4,7,9,11-12,15,22-23H,5-6H2,1-3H3,(H,17,19,20)(H2,24,25,26)/p-2/t9-,11-,12-,15-/m1/s1,XBXAAXAANNIENQ-SDBHATRESA-L,True,True,True,True,True,True,True,True,True,True,,,,,,51,,,True,True,True,True,True,,MIA,No,Yes
51,2-methylthio-N6-isopentenyladenosine,ms2i6A,2000002161A,nucleoside,Adenosine,*,161337,CC(C)=CCNc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C16H23N5O4S,381.1471,381.45,382.1549,3,54 (Kellner 2014),after m6A (Kellner 2014),904,250,False,False,False,,0.6108,150.85,26,not applicable,10,4,InChI=1S/C16H23N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h4,7,9,11-12,15,22-24H,5-6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1,VZQXUWKZDSEQRR-SDBHATRESA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,other,tRNA,Eubacteria,,,,240,,True,True,True,True,True,HMDB0030388,,No,Yes
5,2-methylthio-N6-methyladenosine,ms2m6A,2000000621A,nucleoside,Adenosine,∞,None,CNc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C12H17N5O4S,327.1001,327.359,328.1079,,,,196,False,False,False,,-0.7256,150.85,22,not applicable,10,4,InChI=1S/C12H17N5O4S/c1-13-9-6-10(16-12(15-9)22-2)17(4-14-6)11-8(20)7(19)5(3-18)21-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,13,15,16)/t5-,7-,8-,11-/m1/s1,PHFMCMDFWSZKGD-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,methyl group,,,,,,377,,True,True,True,True,True,HMDB0004044,,No,Yes
377,2-methylthio-N6-methyladenosine-5'-monophosphate,pms2m6A,2000621551A,nucleotide,Adenosine,∞,None,CNc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C12H16N5O7PS,None,405.324,None,,,,,False,False,False,,0.2678,212.85,26,,13,3,InChI=1S/C12H18N5O7PS/c1-13-9-6-10(16-12(15-9)26-2)17(4-14-6)11-8(19)7(18)5(24-11)3-23-25(20,21)22/h4-5,7-8,11,18-19H,3H2,1-2H3,(H,13,15,16)(H2,20,21,22)/p-2/t5-,7-,8-,11-/m1/s1,CXKOHPQQIHCMSO-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,5,,,True,True,True,True,True,,,None,None
55,2-methylthio-N6-threonylcarbamoyladenosine,ms2t6A,2000002162A,nucleoside,Adenosine,[,None,CC(O)C(NC(Nc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=O)C(O)=O,Natural,C16H22N6O8S,458.122,458.446,459.1298,,,,327,False,False,False,,-1.4209,237.48,31,not applicable,15,7,InChI=1S/C16H22N6O8S/c1-5(24)7(14(27)28)18-15(29)19-11-8-12(21-16(20-11)31-2)22(4-17-8)13-10(26)9(25)6(3-23)30-13/h4-7,9-10,13,23-26H,3H2,1-2H3,(H,27,28)(H2,18,19,20,21,29)/t5?,6-,7?,9-,10-,13-/m1/s1,MMNYGKPAZBIRKN-HZPYULPISA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,heavy atom,other,tRNA,Eubacteria,Eukaryota,,,,378,,True,True,True,True,True,HMDB0041623,,No,Yes
378,2-methylthio-N6-threonylcarbamoyladenosine-5'-monophosphate,pms2t6A,2002162551A,nucleotide,Adenosine,[,None,CSc1nc(NC(=O)NC(C(=O)O)C(C)O)c2nc[n]([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2n1,Natural,C16H21N6O11PS,None,536.41,None,,,,,False,False,False,,-0.4275,299.48,35,,18,6,InChI=1S/C16H23N6O11PS/c1-5(23)7(14(26)27)18-15(28)19-11-8-12(21-16(20-11)35-2)22(4-17-8)13-10(25)9(24)6(33-13)3-32-34(29,30)31/h4-7,9-10,13,23-25H,3H2,1-2H3,(H,26,27)(H2,29,30,31)(H2,18,19,20,21,28)/p-2/t5?,6-,7?,9-,10-,13-/m1/s1,CVAJCPGRFVTHBT-HZPYULPISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,55,,,True,True,True,True,True,,12A,None,None
94,2-selenouridine,se2U,2000000020U,nucleoside,Uridine,ω,None,O[C@H]1[C@H]([n]2ccc(=O)[nH]c2=[Se])O[C@H](CO)[C@H]1O,Natural,C9H12N2O5Se,305.9919,307.162,306.9997,,,,175,False,False,False,,-2.5116,107.71,17,not applicable,6,4,InChI=1S/C9H12N2O5Se/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)/t4-,6-,7-,8-/m1/s1,RFZIZXWYWPNBGL-XVFCMESISA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,,Eubacteria,,,,230,,True,True,True,True,True,HMDB0000296,,No,Yes
117,2-thio-2'-O-methyluridine,s2Um,2000000902U,nucleoside,Uridine,∏,None,CO[C@H]1[C@H]([n]2ccc(=O)[nH]c2=S)O[C@H](CO)[C@H]1O,Natural,C10H14N2O5S,274.0623,274.294,275.0701,,,,129,False,False,False,,-0.8285,128.8,18,not applicable,7,3,InChI=1S/C10H14N2O5S/c1-16-8-7(15)5(4-13)17-9(8)12-3-2-6(14)11-10(12)18/h2-3,5,7-9,13,15H,4H2,1H3,(H,11,14,18)/t5-,7-,8-,9-/m1/s1,WARUUAMZJXEUEA-ZOQUXTDFSA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,methyl group,,Eukaryota,,,,379,,True,True,True,True,True,HMDB0000296,,No,Yes
379,2-thio-2'-O-methyluridine-5'-monophosphate,ps2Um,2000902551U,nucleotide,Uridine,∏,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1ccc(=O)[nH]c1=S,Natural,C10H13N2O8PS,None,352.258,None,,,,,False,False,False,,0.1649,190.8,22,,10,2,InChI=1S/C10H15N2O8PS/c1-18-8-7(14)5(4-19-21(15,16)17)20-9(8)12-3-2-6(13)11-10(12)22/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,22)(H2,15,16,17)/p-2/t5-,7-,8-,9-/m1/s1,JXVSZBIVZOOBQQ-ZOQUXTDFSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,117,,,True,True,True,True,True,,,None,None
92,2-thiocytidine,s2C,2000000002C,nucleoside,Cytidine,ʤ,3011746,Nc1nc(=S)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)cc1,Natural,C9H13N3O4S,259.0627,259.282,260.0705,0,68 (Kellner 2014); 0,86 (Kellner 2014),between U and G (Kellner 2014, Kellner 2014),904,906,128,False,False,False,,-0.6125,145.85,17,not applicable,8,4,InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)/t4-,6-,7-,8-/m1/s1,RHFUOMFWUGWKKO-XVFCMESISA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,tRNA,Eubacteria,,s2C at position 32 in bacterial tRNA allows more anticodon loop flexibility that limit formation of the characteristic U33-turn conformation of anticodon loop in other tRNA lacking s2C32.,,347,411,412,True,True,True,True,True,HMDB0000089,,No,Yes
347,2-thiocytidine-5'-monophosphate,ps2C,2000002551C,nucleotide,Cytidine,ʤ,None,Nc1cc[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=S)n1,Natural,C9H12N3O7PS,None,337.246,None,,,,,False,False,False,,0.3809,207.85,21,,11,3,InChI=1S/C9H14N3O7PS/c10-5-1-2-12(9(21)11-5)8-7(14)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13-14H,3H2,(H2,10,11,21)(H2,15,16,17)/p-2/t4-,6-,7-,8-/m1/s1,BPWVHBCPZTVLLY-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,92,,,True,True,True,True,True,,,None,None
100,2-thiouridine,s2U,2000000002U,nucleoside,Uridine,2,3036443,O[C@H]1[C@H]([n]2ccc(=O)[nH]c2=S)O[C@H](CO)[C@H]1O,Natural,C9H12N2O5S,260.0467,260.267,261.0545,1,06 (Kellner 2014),between G and A (Kellner 2014),906,129,False,False,False,,-1.4826,139.8,17,not applicable,7,4,InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)/t4-,6-,7-,8-/m1/s1,GJTBSTBJLVYKAU-XVFCMESISA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,tRNA,Eubacteria,Eukaryota,,,,187,,True,True,True,True,True,HMDB0000296,,No,Yes
191,2N-methylguanosine-5'-monophosphate,pm2G,2000002551G,nucleotide,Guanosine,L,None,CNc1nc2c(nc[n]2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1,Natural,C11H14N5O8P,None,375.231,None,,,,,False,False,False,,-1.1608,207.52,25,not aplicable,12,4,InChI=1S/C11H16N5O8P/c1-12-11-14-8-5(9(19)15-11)13-3-16(8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H2,20,21,22)(H2,12,14,15,19)/p-2/t4-,6-,7-,10-/m1/s1,ZSKBUUXHFBEFIJ-KQYNXXCUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,36,,,True,True,True,True,True,,2MG,No,Yes
271,3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate),8AN,,nucleotide,Adenosine,㐓,46173764,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1N)[n]1c[n]c2c1[n]c[n]c2N)(=O)[O-],Unnatural,C10H15N6O6P,None,344.221,None,None,None,,None,False,False,False,,-1.896599999999999,191.86,38,not aplicable,12,3,InChI=1S/C10H15N6O6P/c11-5-4(1-21-23(18,19)20)22-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/p-2/t4-,5-,7-,10-/m1/s1,WIVGZDLLXCRANL-QYYRPYCUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,8AN,No,Yes
294,3'-deoxyadenosine-5'-monophosphate,3DA,,nucleotide,Adenosine,㐔,9883997,[O-]P(OC[C@H]1O[C@H]([C@H](O)C1)[n]1c[n]c2c1[n]c[n]c2N)(=O)[O-],Unnatural,C10H14N5O6P,None,329.206,None,None,None,,None,False,False,False,,-0.8338000000000003,165.84,36,not aplicable,11,2,InChI=1S/C10H14N5O6P/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(21-10)2-20-22(17,18)19/h3-6,10,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/p-2/t5-,6+,10+/m0/s1,XKFCKNDXVMFENB-BAJZRUMYSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,3DA,No,Yes
274,3'-deoxyguanosine 5'-monophosphate,GDO,,nucleotide,Guanosine,㐷,135566825,[O-]P(OC[C@H]1O[C@H]([C@H](O)C1)[n]1c[n]c2C(=O)NC(N)=Nc21)(=O)[O-],Unnatural,C10H14N5O7P,None,344.197,None,None,None,,None,False,False,False,,-1.5404999999999998,185.81,37,not aplicable,12,2,InChI=1S/C10H14N5O7P/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(22-9)2-21-23(18,19)20/h3-5,9,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/p-2/t4-,5+,9+/m0/s1,FDFODSATEZEUMJ-OBXARNEKSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,GDO,No,Yes
57,3,2'-O-dimethyluridine,m3Um,2000000903U,nucleoside,Uridine,σ,None,C[n]1c(=O)cc[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OC)c1=O,Natural,C11H16N2O6,272.1008,272.255,273.1086,,,,127,False,False,False,,-2.1874,102.92,19,not applicable,8,2,InChI=1S/C11H16N2O6/c1-12-7(15)3-4-13(11(12)17)10-9(18-2)8(16)6(5-14)19-10/h3-4,6,8-10,14,16H,5H2,1-2H3/t6-,8-,9-,10-/m1/s1,OTFGHFBGGZEXEU-PEBGCTIMSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,,,,,,380,,True,True,True,True,True,HMDB0004813,,No,Yes
380,3,2'-O-dimethyluridine-5'-monophosphate,pm3Um,2000903551U,nucleotide,Uridine,σ,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1ccc(=O)[n](C)c1=O,Natural,C11H15N2O9P,None,350.219,None,,,,,False,False,False,,-1.194,164.92,23,,11,1,InChI=1S/C11H17N2O9P/c1-12-7(14)3-4-13(11(12)16)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6,8-10,15H,5H2,1-2H3,(H2,17,18,19)/p-2/t6-,8-,9-,10-/m1/s1,DXHZPCMDHBXXMJ-PEBGCTIMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,57,,,True,True,True,True,True,,,None,None
137,3-(3-amino-3-carboxypropyl)-5,6-dihydrouridine,acp3D,2000000308U,nucleoside,Uridine,Ð,None,NC(CCN1C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCC1=O)C(O)=O,Natural,C13H21N3O8,347.1329,347.321,348.1407,,,,216,False,False,False,,-2.5422,173.86,24,not applicable,11,5,InChI=1S/C13H21N3O8/c14-6(12(21)22)1-3-15-8(18)2-4-16(13(15)23)11-10(20)9(19)7(5-17)24-11/h6-7,9-11,17,19-20H,1-5,14H2,(H,21,22)/t6?,7-,9-,10-,11-/m1/s1,VBRZFUQRBSFADN-JANFQQFMSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,tRNA,,,,,381,304,True,True,True,True,True,HMDB0000497,,No,Yes
381,3-(3-amino-3-carboxypropyl)-5,6-dihydrouridine-5'-monophosphate,pacp3D,2000308551U,nucleotide,Uridine,Ð,None,NC(CCN1C(=O)CCN([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C1=O)C(=O)O,Natural,C13H20N3O11P,None,425.285,None,,,,,False,False,False,,-1.5488,235.86,28,,14,4,InChI=1S/C13H22N3O11P/c14-6(12(20)21)1-3-15-8(17)2-4-16(13(15)22)11-10(19)9(18)7(27-11)5-26-28(23,24)25/h6-7,9-11,18-19H,1-5,14H2,(H,20,21)(H2,23,24,25)/p-2/t6?,7-,9-,10-,11-/m1/s1,JHBULQQGRBHAKY-JANFQQFMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,137,,,True,True,True,True,True,,,None,None
138,3-(3-amino-3-carboxypropyl)pseudouridine,acp3Y,2000000309U,nucleoside,Uridine,Þ,None,NC(C(=O)O)CC[n]1c(=O)c([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c[nH]c1=O,Natural,C13H19N3O8,345.1172,345.305,346.125,,,,214,False,False,False,,-2.8071,188.1,24,not applicable,10,6,InChI=1S/C13H19N3O8/c14-6(12(21)22)1-2-16-11(20)5(3-15-13(16)23)10-9(19)8(18)7(4-17)24-10/h3,6-10,17-19H,1-2,4,14H2,(H,15,23)(H,21,22)/t6?,7-,8-,9-,10+/m1/s1,ZHENYVBBFCVMEV-BKLVVQOLSA-N,True,True,True,True,True,True,True,True,True,True,,,,,acp3Y is accumulated when the Nep1 enzyme is absent. The enzyme catalyzing the acp3Y formation in S. cerevisiae is still unknown.,,348,305,True,True,True,True,True,HMDB0000767,,No,Yes
348,3-(3-amino-3-carboxypropyl)pseudouridine-5'-monophosphate,pacp3Y,2000309551U,nucleotide,Uridine,Þ,None,NC(CC[n]1c(=O)[nH]cc([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1=O)C(=O)O,Natural,C13H18N3O11P,None,423.269,None,,,,,False,False,False,,-1.8137,250.1,28,,13,5,InChI=1S/C13H20N3O11P/c14-6(12(20)21)1-2-16-11(19)5(3-15-13(16)22)10-9(18)8(17)7(27-10)4-26-28(23,24)25/h3,6-10,17-18H,1-2,4,14H2,(H,15,22)(H,20,21)(H2,23,24,25)/p-2/t6?,7-,8-,9-,10+/m1/s1,FKZZDOXJWQEDFY-BKLVVQOLSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,138,,,True,True,True,True,True,,,No,Yes
75,3-(3-amino-3-carboxypropyl)uridine,acp3U,2000000030U,nucleoside,Uridine,X,None,NC(CC[n]1c(=O)[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1=O)C(O)=O,Natural,C13H19N3O8,345.1172,345.305,346.125,0,46 (Kellner 2014),between C and U (Kellner 2014),904,214/197/168,False,False,False,,-2.8762,177.24,24,not applicable,11,5,InChI=1S/C13H19N3O8/c14-6(12(21)22)1-3-15-8(18)2-4-16(13(15)23)11-10(20)9(19)7(5-17)24-11/h2,4,6-7,9-11,17,19-20H,1,3,5,14H2,(H,21,22)/t6?,7-,9-,10-,11-/m1/s1,YXNIEZJFCGTDKV-JANFQQFMSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,rRNA,tRNA,,,,,382,,True,True,True,True,True,HMDB0004813,,No,Yes
382,3-(3-amino-3-carboxypropyl)uridine-5'-monophosphate,pacp3U,2000030551U,nucleotide,Uridine,X,None,NC(CC[n]1c(=O)cc[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1=O)C(=O)O,Natural,C13H18N3O11P,None,423.269,None,,,,,False,False,False,,-1.8828,239.24,28,,14,4,InChI=1S/C13H20N3O11P/c14-6(12(20)21)1-3-15-8(17)2-4-16(13(15)22)11-10(19)9(18)7(27-11)5-26-28(23,24)25/h2,4,6-7,9-11,18-19H,1,3,5,14H2,(H,20,21)(H2,23,24,25)/p-2/t6?,7-,9-,10-,11-/m1/s1,CJKRCYMKRHIIKR-JANFQQFMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,75,,,True,True,True,True,True,,,None,None
299,3-Methylcytidine- 5'-monophosphate,pm3C,2000003551C,nucleotide,Cytidine,Щ,None,C[n+]1c(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)ccc1N,Natural,C10H15N3O8P,None,336.215,None,,,,,False,False,False,,-1.5589,183.82,22,not aplicable,10,3,InChI=1S/C10H16N3O8P/c1-12-6(11)2-3-13(10(12)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,11,14-15H,4H2,1H3,(H2,17,18,19)/p-1/t5-,7-,8-,9-/m1/s1,ZEGVEFNYAXGPPR-ZOQUXTDFSA-M,True,True,True,True,True,True,True,True,True,True,,,,,,52,,,True,True,True,True,True,,JMH,No,Yes
287,3-[1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl]-1-[5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine,A7C,,nucleotide,Unknown,㐕,137348905,Nc1c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O3)[n]c2-c2[n][n][n](-c3ccc(Br)cc3)c2)[n]c[n]1,Unnatural,C18H20BrN8O7P,None,567.247,None,,,,,False,False,False,,-0.5587000000000009,219.94,55,not aplicable,15,3,InChI=1S/C18H18BrN8O7P/c19-8-1-3-9(4-2-8)26-5-10(23-25-26)13-12-16(20)21-7-22-17(12)27(24-13)18-15(29)14(28)11(34-18)6-33-35(30,31)32/h1-5,7,11,14-15,18,28-29H,6H2,(H2,20,21,22)(H2,30,31,32)/p-2/t11-,14-,15-,18-/m1/s1,WKLDGIAOHKVWPC-XKLVTHTNSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,A7C,No,Yes
277,3-ethynyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine,A7E,,nucleotide,Unknown,㐖,137348906,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1[n]c(c2c1[n]c[n]c2N)C#C)(=O)[O-],Unnatural,C12H14N5O7P,None,369.227,None,,,,,False,False,False,,-1.8817,186.07,39,not aplicable,12,3,InChI=1S/C12H14N5O7P/c1-2-5-7-10(13)14-4-15-11(7)17(16-5)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h1,4,6,8-9,12,18-19H,3H2,(H2,13,14,15)(H2,20,21,22)/p-2/t6-,8-,9-,12-/m1/s1,HCACDNLXBUUHEH-WOUKDFQISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,A7E,No,Yes
52,3-methylcytidine,m3C,2000000003C,nucleoside,Cytidine,Щ,159649,C[n+]1c(N)cc[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O,Natural,C10H16N3O5+,257.1012,258.251,258.109,0,55 (Kellner 2014); 0,54 (Kellner 2014),between C and U (Kellner 2014, Kellner 2014),904,905,906,126,False,False,False,,-2.5523,121.82,18,not applicable,7,4,InChI=1S/C10H15N3O5/c1-12-6(11)2-3-13(10(12)17)9-8(16)7(15)5(4-14)18-9/h2-3,5,7-9,11,14-16H,4H2,1H3/p+1/t5-,7-,8-,9-/m1/s1,RDPUKVRQKWBSPK-ZOQUXTDFSA-O,True,True,True,True,True,True,True,True,True,True,methyl group,tRNA,Eukaryota,,m3C has a positive charge at neutral pH.,,299,,True,True,True,True,True,HMDB0000089,,No,Yes
48,3-methylpseudouridine,m3Y,2000000039U,nucleoside,Uridine,Ƒ,None,C[n]1c(=O)c([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c[nH]c1=O,Natural,C10H14N2O6,258.0852,258.228,259.093,,,,169/179/227/209,False,False,False,,-2.7724,124.78,18,not applicable,7,4,InChI=1S/C10H14N2O6/c1-12-9(16)4(2-11-10(12)17)8-7(15)6(14)5(3-13)18-8/h2,5-8,13-15H,3H2,1H3,(H,11,17)/t5-,6-,7-,8+/m1/s1,DXEJZRDJXRVUPN-XUTVFYLZSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,ring modification,rRNA,Eubacteria,,,,349,,True,True,True,True,True,HMDB0000767,,No,Yes
349,3-methylpseudouridine-5'-monophosphate,pm3Y,2000039551U,nucleotide,Uridine,Ƒ,None,C[n]1c(=O)[nH]cc([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1=O,Natural,C10H13N2O9P,None,336.192,None,,,,,False,False,False,,-1.779,186.78,22,,10,3,InChI=1S/C10H15N2O9P/c1-12-9(15)4(2-11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,16)(H2,17,18,19)/p-2/t5-,6-,7-,8+/m1/s1,XBPGZENOIJPXSD-XUTVFYLZSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,48,,,True,True,True,True,True,,,None,None
49,3-methyluridine,m3U,2000000003U,nucleoside,Uridine,δ,316991,C[n]1c(=O)[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1=O,Natural,C10H14N2O6,258.0852,258.228,259.093,,,,127,False,False,False,,-2.8415,113.92,18,not applicable,8,3,InChI=1S/C10H14N2O6/c1-11-6(14)2-3-12(10(11)17)9-8(16)7(15)5(4-13)18-9/h2-3,5,7-9,13,15-16H,4H2,1H3/t5-,7-,8-,9-/m1/s1,UTQUILVPBZEHTK-ZOQUXTDFSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,Eubacteria,,,,199,,True,True,True,True,True,HMDB0004813,,No,Yes
199,3-methyluridine-5'-monophosphate,pm3U,2000003551U,nucleotide,Uridine,δ,None,C[n]1c(=O)cc[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1=O,Natural,C10H13N2O9P,None,336.192,None,None,None,,None,False,False,False,,-1.8481,175.92,22,not aplicable,11,2,InChI=1S/C10H15N2O9P/c1-11-6(13)2-3-12(10(11)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H2,17,18,19)/p-2/t5-,7-,8-,9-/m1/s1,KZSHODFDDQCIMT-ZOQUXTDFSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,49,,,True,True,True,True,True,,UR3,No,Yes
276,4'-thio-4'-deoxy-cytosine-5'-monophosphate,S4C,,nucleotide,Cytidine,㐨,49867627,[O-]P(OC[C@H]1S[C@H]([C@H](O)[C@@H]1O)N1C(N=C(N)C=C1)=O)(=O)[O-],Unnatural,C9H14N3O7PS,None,337.246,None,None,None,,None,False,False,False,,-1.7294,168.13,35,not aplicable,11,3,InChI=1S/C9H14N3O7PS/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(21-8)3-19-20(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1,OTHQFNYFZVVZTO-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,S4C,No,Yes
323,4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one,CFL,,nucleotide,Cytidine,㐅,49866782,[O-]P(OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N1C(N=C(N)C=C1)=O)(=O)[O-],Unnatural,C9H13FN3O7P,None,323.172,None,None,None,,None,False,False,False,,-1.4688000000000003,157.13,34,not aplicable,10,2,InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/p-2/t4-,6+,7-,8-/m1/s1,KTAATIGPZHTGOP-PXBUCIJWSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,CFL,Yes,Yes
267,4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}pyrimidin-2(1H)-one,10C,,nucleotide,Cytidine,㐩,52941744,[O-]P(OC[C@]12O[C@@H](N3C(=O)N=C(N)C=C3)[C@H](OC1)[C@@H]2O)(=O)[O-],Unnatural,C10H14N3O8P,None,333.191,None,None,None,,None,False,False,False,,-2.0378999999999987,166.36,36,not aplicable,11,2,InChI=1S/C10H14N3O8P/c11-5-1-2-13(9(15)12-5)8-6-7(14)10(21-8,3-19-6)4-20-22(16,17)18/h1-2,6-8,14H,3-4H2,(H2,11,12,15)(H2,16,17,18)/p-2/t6-,7+,8-,10-/m1/s1,QSWJTQANHZXJPG-IBCQBUCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,10C,No,Yes
108,4-demethylwyosine,imG-14,2000000004G,nucleoside,Guanosine,†,477875,Cc1c[n]2c(c3nc[n]([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3[nH]c2n1)=O,Natural,C13H15N5O5,321.1073,321.289,322.1151,,,,190,False,False,False,,-1.7078,137.9,23,not applicable,9,4,InChI=1S/C13H15N5O5/c1-5-2-17-11(22)7-10(16-13(17)15-5)18(4-14-7)12-9(21)8(20)6(3-19)23-12/h2,4,6,8-9,12,19-21H,3H2,1H3,(H,15,16)/t6-,8-,9-,12-/m1/s1,QUZQVVNSDQCAOL-WOUKDFQISA-N,True,True,True,True,True,True,True,True,True,True,ring modification,,Archaea,Eukaryota,,,,383,,True,True,True,True,True,HMDB0000195,,No,Yes
383,4-demethylwyosine-5'-monophosphate,pimG-14,2000004551G,nucleotide,Guanosine,†,None,Cc1c[n]2c(=O)c3nc[n]([C@@H]4O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]4O)c3[nH]c2n1,Natural,C13H14N5O8P,None,399.253,None,,,,,False,False,False,,-0.7144,199.9,27,,12,3,InChI=1S/C13H16N5O8P/c1-5-2-17-11(21)7-10(16-13(17)15-5)18(4-14-7)12-9(20)8(19)6(26-12)3-25-27(22,23)24/h2,4,6,8-9,12,19-20H,3H2,1H3,(H,15,16)(H2,22,23,24)/p-2/t6-,8-,9-,12-/m1/s1,AXFNSZQTTOWMGU-WOUKDFQISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,108,,,True,True,True,True,True,,,None,None
281,4-methyl, cytidine-5'-monophosphate,pm4C,2000004551C,nucleotide,Cytidine,ν,None,CNc1nc(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1,Natural,C10H14N3O8P,None,335.207,None,None,None,,None,False,False,False,,-1.0371,178.84,22,not aplicable,11,3,InChI=1S/C10H16N3O8P/c1-11-6-2-3-13(10(16)12-6)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,11,12,16)(H2,17,18,19)/p-2/t5-,7-,8-,9-/m1/s1,GTYSZZKMWYKWQR-ZOQUXTDFSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,9,,,True,True,True,True,True,,B8T,No,Yes
7,4-thiouridine,s4U,2000000074U,nucleoside,Uridine,4,3954028,OC[C@H]1O[C@@H]([n]2ccc(=S)[nH]c2=O)[C@H](O)[C@@H]1O,Natural,C9H12N2O5S,260.0467,260.267,261.0545,1,15 (Kellner 2014); 1,18 (Kellner 2014),between G and A (Kellner 2014, Kellner 2014),904,906,129,False,False,False,,-1.4826,139.8,17,not applicable,7,4,InChI=1S/C9H12N2O5S/c12-3-4-6(13)7(14)8(16-4)11-2-1-5(17)10-9(11)15/h1-2,4,6-8,12-14H,3H2,(H,10,15,17)/t4-,6-,7-,8-/m1/s1,ZLOIGESWDJYCTF-XVFCMESISA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,tRNA,Eubacteria,,,,216,,True,True,True,True,True,HMDB0000089,,No,Yes
216,4-thiouridine-5'-monophosphate,ps4U,2000074551U,nucleotide,Uridine,4,None,O=c1[nH]c(=S)cc[n]1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C9H11N2O8PS,None,338.231,None,,,,,False,False,False,,-0.4892,201.8,21,not aplicable,10,3,InChI=1S/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/p-2/t4-,6-,7-,8-/m1/s1,CKTAUHRBDDXUDJ-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,7,,,True,True,True,True,True,,4SU,No,Yes
208,4N,O2'-methylcytidine-5'-monophosphate,pm4Cm,2000904551C,nucleotide,Cytidine,λ,None,CNc1cc[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2OC)c(=O)n1,Natural,C11H16N3O8P,None,349.234,None,,,,,False,False,False,,-0.383,167.84,23,not aplicable,11,2,InChI=1S/C11H18N3O8P/c1-12-7-3-4-14(11(16)13-7)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6,8-10,15H,5H2,1-2H3,(H,12,13,16)(H2,17,18,19)/p-2/t6-,8-,9-,10-/m1/s1,GPJNLASIBKTFTM-PEBGCTIMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,39,,,True,True,True,True,True,,4OC,No,Yes
149,5' (3' -dephospho-CoA),CoApN,2000000455N,nucleotide,Adenosine, Uridine, Cytidine, Guanosine,♠,None,CC(C)(COP([O-])(OP([O-])(OC[C@H]1O[C@@H]([n]2cnc3c(N)ncnc23)[C@H](O)[C@@H]1OP([O-])(OC[C@H]1O[C@@H]%91[C@H](O)[C@@H]1O)=O)=O)=O)C(O)C(NCCC(NCCS)=O)=O.[*]%91,Natural,C26H40N7O19P3S,684.1254,879.618,None,None,None,,None,False,False,False,,0.4525,461.97,57,unspecified residue,27,8,,,True,True,True,True,True,True,True,True,True,True,,,,,,,,443,True,True,True,True,True,HMDB0001423,,No,Yes
150,5' (3' -dephosphoacetyl-CoA),acCoApN,2000004155N,nucleotide,Adenosine, Uridine, Cytidine, Guanosine,♣,None,CC(SCCNC(CCNC(C(O)C(C)(C)COP([O-])(OP([O-])(OC[C@H]1O[C@@H]([n]2cnc3c(N)ncnc23)[C@H](O)[C@@H]1OP([O-])(OC[C@H]1O[C@@H]%91[C@H](O)[C@@H]1O)=O)=O)=O)=O)=O)=O.[*]%91,Natural,C28H42N7O20P3S,736.1778,921.654,None,None,None,,None,False,False,False,,0.8024,465.54,60,unspecified residue,28,7,,,True,True,True,True,True,True,True,True,True,True,,,,,,,,443,True,True,True,True,True,HMDB0001206,,No,Yes
151,5' (3' -dephosphomalonyl-CoA),malonyl-CoApN,2000004255N,nucleotide,Adenosine, Uridine, Cytidine, Guanosine, ♥,None,CC(C)(COP([O-])(OP([O-])(OC[C@H]1O[C@@H]([n]2cnc3c(N)ncnc23)[C@H](O)[C@@H]1OP([O-])(OC[C@H]1O[C@@H]%91[C@H](O)[C@@H]1O)=O)=O)=O)C(O)C(NCCC(NCCSC(CC(O)=O)=O)=O)=O.[*]%91,Natural,C29H42N7O22P3S,780.1676,965.664,None,None,None,,None,False,False,False,,0.2572,502.84,63,unspecified residue,30,8,,,True,True,True,True,True,True,True,True,True,True,,,,,,,,443,True,True,True,True,True,HMDB0001175,,No,Yes
152,5' (3' -dephosphosuccinyl-CoA),succinyl-CoApN,2000004355N,nucleotide,Adenosine, Uridine, Cytidine, Guanosine,♦,None,CC(C)(COP([O-])(OP([O-])(OC[C@H]1O[C@@H]([n]2cnc3c(N)ncnc23)[C@H](O)[C@@H]1OP([O-])(OC[C@H]1O[C@@H]%91[C@H](O)[C@@H]1O)=O)=O)=O)C(O)C(NCCC(NCCSC(CCC(O)=O)=O)=O)=O.[*]%91,Natural,C30H44N7O22P3S,793.1755,979.69,None,,,,None,False,False,False,,0.6473,502.84,64,unspecified residue,30,8,,,True,True,True,True,True,True,True,True,True,True,,,,,,,,443,True,True,True,True,True,HMDB0001022,,No,Yes
153,5' diphosphate end,ppN,2000000552N,nucleotide,Adenosine, Cytidine, Guanosine, Uridine,ϒ,None,O[C@H]1[C@H]%91O[C@H](COP(OP(=O)([O-])[O-])(=O)[O-])[C@H]1O.[*]%91,Natural,C5H8O10P2,78.9585,290.059,None,,,,,False,False,False,,-0.0568,191.09,18,unspecified residue,10,2,None,None,True,True,True,True,True,True,True,True,True,True,,,Eukaryota,,,,,,False,False,True,True,True,HMDB0060500,,No,Yes
173,5' hydroxyl end,5'-OH-N,2000000550N,nucleoside,Adenosine, Cytidine, Guanosine, Uridine,ɀ,None,,Natural,,None,None,None,,,,,False,False,False,,None,None,None,unspecified residue,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,,,,,,,,False,False,False,False,False,,,No,Yes
154,5' nicotinamide adenine dinucleotide,NADpN,2000000255N,nucleotide,Adenosine, Uridine, Cytidine, Guanosine,Ξ,None,NC(c1ccc[n+]([C@@H]2O[C@H](COP([O-])(OP([O-])(OC[C@H]3O[C@@H]([n]4cnc5c(N)ncnc45)[C@H](O)[C@@H]3OP([O-])(OC[C@H]3O[C@@H]%91[C@H](O)[C@@H]3O)=O)=O)=O)[C@@H](O)[C@H]2O)c1)=O.[*]%91,Natural,C26H33N7O20P3,661.0935,856.496,None,None,None,,None,False,False,False,,-0.8626,441.4,57,unspecified residue,26,7,,,True,True,True,True,True,True,True,True,True,True,,,,,,,,1,True,True,True,True,True,HMDB0000902,,No,Yes
147,5' triphosphate end,pppN,2000000553N,nucleotide,Adenosine, Cytidine, Guanosine, Uridine,ϖ,None,O[C@@H]1[C@H](O)[C@@H](COP([O-])(OP([O-])(OP([O-])([O-])=O)=O)=O)O[C@@H]%911.[*]%91,Natural,C5H8O13P3,157.917,369.031,None,,,,,False,False,False,,0.4984,250.26,22,unspecified residue,13,2,None,None,True,True,True,True,True,True,True,True,True,True,,,Eukaryota,,,,,,False,False,True,True,True,HMDB0060500,,No,Yes
247,5'-3,6-dihydrocytidylic acid,RY,,nucleotide,Cytidine,㐪,137349976,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC=C(N)NC1=O)(=O)[O-],Unnatural,C9H16N3O8P,None,321.181,None,None,None,,None,False,False,False,,-2.632299999999998,174.81,37,not aplicable,11,3,InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1,4,6-8,13-14H,2-3,10H2,(H,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1,NWPXZYGTNOANAA-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,RY,No,Yes
298,5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine,45A,,nucleotide,Adenosine,㐗,445093,CP(OC[C@@H]1[C@@H](O)[C@@H](O)[C@H]([n]2c3c(c(ncn3)N)nc2)O1)(=O)[O-],Unnatural,C11H16N5O6P,None,345.248,None,,,,,False,False,False,,-1.1405000000000003,165.84,39,not aplicable,11,4,InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/p-1/t5-,7-,8-,11-/m1/s1,PXSSQXBLDTZHLF-IOSLPCCCSA-M,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,45A,No,Yes
279,5'-O-[(dithiophosphono)]cytidine,73W,,nucleotide,Cytidine,㐫,137348555,NC1C=CN([C@H]2[C@H](O)[C@H](O)[C@@H](COP(=S)([S-])[O-])O2)C(=O)N=1,Unnatural,C9H14N3O6PS2,None,353.312,None,None,None,,None,False,False,False,,-1.3921,140.06,35,not aplicable,11,3,InChI=1S/C9H14N3O6PS2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(18-8)3-17-19(16,20)21/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,20,21)/p-2/t4-,6-,7-,8-/m1/s1,GHDZYAHUSKICEF-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,73W,No,Yes
2,5,2'-O-dimethylcytidine,m5Cm,2000000905C,nucleoside,Cytidine,τ,None,CO[C@H]1[C@H]([n]2c(=O)nc(N)c(C)c2)O[C@H](CO)[C@H]1O,Natural,C11H17N3O5,271.1168,271.27,272.1246,,,,126,False,False,False,,-1.0193,119.83,19,not applicable,8,3,InChI=1S/C11H17N3O5/c1-5-3-14(11(17)13-9(5)12)10-8(18-2)7(16)6(4-15)19-10/h3,6-8,10,15-16H,4H2,1-2H3,(H2,12,13,17)/t6-,7-,8-,10-/m1/s1,CNVRVGAACYEOQI-FDDDBJFASA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,,,,,,350,,True,True,True,True,True,HMDB0000982,,No,Yes
350,5,2'-O-dimethylcytidine-5'-monophosphate,pm5Cm,2000905551C,nucleotide,Cytidine,τ,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1cc(C)c(N)nc1=O,Natural,C11H16N3O8P,None,349.234,None,,,,,False,False,False,,-0.0259,181.83,23,,11,2,InChI=1S/C11H18N3O8P/c1-5-3-14(11(16)13-9(5)12)10-8(20-2)7(15)6(22-10)4-21-23(17,18)19/h3,6-8,10,15H,4H2,1-2H3,(H2,12,13,16)(H2,17,18,19)/p-2/t6-,7-,8-,10-/m1/s1,FSXRAPHMOJVESF-FDDDBJFASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,2,,,True,True,True,True,True,,,None,None
122,5,2'-O-dimethyluridine,m5Um,2000000905U,nucleoside,Uridine,Ħ,None,CO[C@H]1[C@H]([n]2c(=O)[nH]c(=O)c(C)c2)O[C@H](CO)[C@H]1O,Natural,C11H16N2O6,272.1008,272.255,273.1086,,,905,127,False,False,False,,-1.8894,113.78,19,not applicable,7,3,InChI=1S/C11H16N2O6/c1-5-3-13(11(17)12-9(5)16)10-8(18-2)7(15)6(4-14)19-10/h3,6-8,10,14-15H,4H2,1-2H3,(H,12,16,17)/t6-,7-,8-,10-/m1/s1,YHRRPHCORALGKQ-FDDDBJFASA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,tRNA,,,,,296,,True,True,True,True,True,HMDB0000884,,No,Yes
190,5,6-dihydrouridine-5'-monophosphate,pD,2000008551U,nucleotide,Uridine,D,None,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C(NC(=O)CC1)=O)(=O)[O-],Natural,C9H13N2O9P,None,324.181,None,,,,,False,False,False,,-1.3726,181.33,21,not aplicable,11,3,InChI=1S/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1,NBWDKGJHOHJBRJ-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,14,,,True,True,True,True,True,,H2U,No,Yes
223,5-(O-methylaceto)-2-thio-2-deoxy-uridine-5'-monophosphate,pmcm5s2U,2002521551U,nucleotide,Uridine,3,None,COC(=O)Cc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=S)[nH]c1=O,Natural,C12H15N2O10PS,None,410.294,None,,,,,False,False,False,,-0.7737,228.1,26,not aplicable,12,3,InChI=1S/C12H17N2O10PS/c1-22-7(15)2-5-3-14(12(26)13-10(5)18)11-9(17)8(16)6(24-11)4-23-25(19,20)21/h3,6,8-9,11,16-17H,2,4H2,1H3,(H,13,18,26)(H2,19,20,21)/p-2/t6-,8-,9-,11-/m1/s1,RWXSPKNHAJLKOR-PNHWDRBUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,68,,,True,True,True,True,True,,70U,No,Yes
164,5-(carboxyhydroxymethyl)-2'-O-methyluridine methyl ester,mchm5Um,2000090522U,nucleoside,Uridine,b,None,COC(C(O)c1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OC)c(=O)[nH]c1=O)=O,Natural,C13H18N2O9,346.1012,346.29,347.109,,,,201,False,False,False,,-2.9914,160.31,24,not applicable,10,4,InChI=1S/C13H18N2O9/c1-22-9-8(18)6(4-16)24-11(9)15-3-5(7(17)12(20)23-2)10(19)14-13(15)21/h3,6-9,11,16-18H,4H2,1-2H3,(H,14,19,21)/t6-,7?,8-,9-,11-/m1/s1,OUUYMMOUHMVFLU-VDZCSFMGSA-N,True,True,True,True,True,True,True,True,True,True,,,,,,,384,,True,True,True,True,True,HMDB0000884,,No,Yes
384,5-(carboxyhydroxymethyl)-2'-O-methyluridine methyl ester-5'-monophosphate,pmchm5Um,2090522551U,nucleotide,Uridine,b,None,COC(=O)C(O)c1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2OC)c(=O)[nH]c1=O,Natural,C13H17N2O12P,None,424.254,None,,,,,False,False,False,,-1.998,222.31,28,,13,3,InChI=1S/C13H19N2O12P/c1-24-9-8(17)6(4-26-28(21,22)23)27-11(9)15-3-5(7(16)12(19)25-2)10(18)14-13(15)20/h3,6-9,11,16-17H,4H2,1-2H3,(H,14,18,20)(H2,21,22,23)/p-2/t6-,7?,8-,9-,11-/m1/s1,XINLKWGQDLRONK-VDZCSFMGSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,164,,,True,True,True,True,True,,,None,None
85,5-(carboxyhydroxymethyl)uridine methyl ester,mchm5U,2000000522U,nucleoside,Uridine,ɮ,None,COC(C(c1c(=O)[nH]c(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c1)O)=O,Natural,C12H16N2O9,332.0856,332.263,333.0934,,,,129/183/316/201/297,False,False,False,,-3.6455,171.31,23,not applicable,10,5,InChI=1S/C12H16N2O9/c1-22-11(20)6(16)4-2-14(12(21)13-9(4)19)10-8(18)7(17)5(3-15)23-10/h2,5-8,10,15-18H,3H2,1H3,(H,13,19,21)/t5-,6?,7-,8-,10-/m1/s1,JNVLKTZUCGRYNN-LQGIRWEJSA-N,True,True,True,True,True,True,True,True,True,True,other,other,other,tRNA,Eukaryota,,,,351,,True,True,True,True,True,HMDB0000884,,No,Yes
351,5-(carboxyhydroxymethyl)uridine methyl ester-5'-monophosphate,pmchm5U,2000522551U,nucleotide,Uridine,ɮ,None,COC(=O)C(O)c1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C12H15N2O12P,None,410.227,None,,,,,False,False,False,,-2.6521,233.31,27,,13,4,InChI=1S/C12H17N2O12P/c1-24-11(19)6(15)4-2-14(12(20)13-9(4)18)10-8(17)7(16)5(26-10)3-25-27(21,22)23/h2,5-8,10,15-17H,3H2,1H3,(H,13,18,20)(H2,21,22,23)/p-2/t5-,6?,7-,8-,10-/m1/s1,LJMASTHLZOHXHX-LQGIRWEJSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,85,,,True,True,True,True,True,,,None,None
241,5-(carboxymethoxy) uridine-5'-monophosphate,pcmo5U,2000502551U,nucleotide,Uridine,V,None,O[C@@H]1[C@@H](COP(=O)([O-])[O-])O[C@@H]([n]2c(=O)[nH]c(=O)c(OCC(=O)O)c2)[C@@H]1O,Natural,C11H13N2O12P,None,396.201,None,,,,,False,False,False,,-2.3951,233.31,26,not aplicable,13,4,InChI=1S/C11H15N2O12P/c14-6(15)3-23-4-1-13(11(19)12-9(4)18)10-8(17)7(16)5(25-10)2-24-26(20,21)22/h1,5,7-8,10,16-17H,2-3H2,(H,14,15)(H,12,18,19)(H2,20,21,22)/p-2/t5-,7-,8-,10-/m1/s1,FRVLMVWBMGVDIG-VPCXQMTMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,47,,,True,True,True,True,True,,CM0,No,Yes
254,5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate),phm5C,2000051551C,nucleotide,Cytidine,Ƣ,None,Nc1nc(=O)[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1CO,Natural,C10H14N3O9P,None,351.207,None,,,,,False,False,False,,-1.4961,213.06,23,not aplicable,12,4,InChI=1S/C10H16N3O9P/c11-8-4(2-14)1-13(10(17)12-8)9-7(16)6(15)5(22-9)3-21-23(18,19)20/h1,5-7,9,14-16H,2-3H2,(H2,11,12,17)(H2,18,19,20)/p-2/t5-,6-,7-,9-/m1/s1,KPUOHXMVCZBWQC-JXOAFFINSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,119,,,True,True,True,True,True,,5HM,No,Yes
145,5-(isopentenylaminomethyl)-2'-O-methyluridine,inm5Um,2000090583U,nucleoside,Uridine,Ю,None,CO[C@H]1[C@H]([n]2c(=O)[nH]c(=O)c(CNCC=C(C)C)c2)O[C@H](CO)[C@H]1O,Natural,C16H25N3O6,355.1743,355.386,356.1821,,,,210,False,False,False,,-0.7511,125.81,25,not applicable,8,4,InChI=1S/C16H25N3O6/c1-9(2)4-5-17-6-10-7-19(16(23)18-14(10)22)15-13(24-3)12(21)11(8-20)25-15/h4,7,11-13,15,17,20-21H,5-6,8H2,1-3H3,(H,18,22,23)/t11-,12-,13-,15-/m1/s1,LUZQNJKKCXNVPW-RGCMKSIDSA-N,True,True,True,True,True,True,True,True,True,True,,,,,5-(isopentenylaminomethyl)uridine and 2-thio-5-(isopentenylaminomethyl)uridine were identified in tRNA of Thermodesulfobacterium commune. Their identities were determined by mass spectrometry and confirmed by chemical synthesis. Data were presented at the tRNA meeting in Banz, Germany (1985) by P.F. Crain, D.R. Phillips, T. Hashizume and F. Widdel. Since then, beside the Banz-meeting abstract, no paper was published about these modified nucleosides.,,352,,True,True,True,True,True,HMDB0000884,,No,Yes
352,5-(isopentenylaminomethyl)-2'-O-methyluridine-5'-monophosphate,pinm5Um,2090583551U,nucleotide,Uridine,Ю,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1cc(CNCC=C(C)C)c(=O)[nH]c1=O,Natural,C16H24N3O9P,None,433.35,None,,,,,False,False,False,,0.2423,187.81,29,,11,3,InChI=1S/C16H26N3O9P/c1-9(2)4-5-17-6-10-7-19(16(22)18-14(10)21)15-13(26-3)12(20)11(28-15)8-27-29(23,24)25/h4,7,11-13,15,17,20H,5-6,8H2,1-3H3,(H,18,21,22)(H2,23,24,25)/p-2/t11-,12-,13-,15-/m1/s1,UHJHONHLFXGVQM-RGCMKSIDSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,145,,,True,True,True,True,True,,,None,None
146,5-(isopentenylaminomethyl)-2-thiouridine,inm5s2U,2000002583U,nucleoside,Uridine,Ɲ,None,CC(=CCNCc1c(=O)[nH]c(=S)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c1)C,Natural,C15H23N3O5S,357.1358,357.425,358.1436,,,,226,False,False,False,,-0.0359,151.83,24,not applicable,8,5,InChI=1S/C15H23N3O5S/c1-8(2)3-4-16-5-9-6-18(15(24)17-13(9)22)14-12(21)11(20)10(7-19)23-14/h3,6,10-12,14,16,19-21H,4-5,7H2,1-2H3,(H,17,22,24)/t10-,11-,12-,14-/m1/s1,KZNMUKLEOMANLY-HKUMRIAESA-N,True,True,True,True,True,True,True,True,True,True,,,,,5-(isopentenylaminomethyl)uridine and 2-thio-5-(isopentenylaminomethyl)uridine were identified in tRNA of Thermodesulfobacterium commune. Their identities were determined by mass spectrometry and confirmed by chemical synthesis. Data were presented at the tRNA meeting in Banz, Germany (1985) by P.F. Crain, D.R. Phillips, T. Hashizume and F. Widdel. Since then, beside the Banz-meeting abstract, no paper was published about these modified nucleosides.,,353,,True,True,True,True,True,HMDB0011610,,No,Yes
353,5-(isopentenylaminomethyl)-2-thiouridine-5'-monophosphate,pinm5s2U,2002583551U,nucleotide,Uridine,Ɲ,None,CC(C)=CCNCc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=S)[nH]c1=O,Natural,C15H22N3O8PS,None,435.389,None,,,,,False,False,False,,0.9575,213.83,28,,11,4,InChI=1S/C15H24N3O8PS/c1-8(2)3-4-16-5-9-6-18(15(28)17-13(9)21)14-12(20)11(19)10(26-14)7-25-27(22,23)24/h3,6,10-12,14,16,19-20H,4-5,7H2,1-2H3,(H,17,21,28)(H2,22,23,24)/p-2/t10-,11-,12-,14-/m1/s1,OWUYJIPZRKDOJL-HKUMRIAESA-L,True,True,True,True,True,True,True,True,True,True,,,,,,146,,,True,True,True,True,True,,,None,None
144,5-(isopentenylaminomethyl)uridine,inm5U,2000000583U,nucleoside,Uridine,¾,None,CC(=CCNCc1c(=O)[nH]c(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c1)C,Natural,C15H23N3O6,341.1587,341.36,342.1665,,,,210,False,False,False,,-1.4052,136.81,24,not applicable,8,5,InChI=1S/C15H23N3O6/c1-8(2)3-4-16-5-9-6-18(15(23)17-13(9)22)14-12(21)11(20)10(7-19)24-14/h3,6,10-12,14,16,19-21H,4-5,7H2,1-2H3,(H,17,22,23)/t10-,11-,12-,14-/m1/s1,BDYFCYHXUPHLAY-HKUMRIAESA-N,True,True,True,True,True,True,True,True,True,True,,,,,5-(isopentenylaminomethyl)uridine and 2-thio-5-(isopentenylaminomethyl)uridine were identified in tRNA of Thermodesulfobacterium commune. Their identities were determined by mass spectrometry and confirmed by chemical synthesis. Data were presented at the tRNA meeting in Banz, Germany (1985) by P.F. Crain, D.R. Phillips, T. Hashizume and F. Widdel. Since then, beside the Banz-meeting abstract, no paper was published about these modified nucleosides.,,354,,True,True,True,True,True,HMDB0000884,,No,Yes
354,5-(isopentenylaminomethyl)uridine-5'-monophosphate,pinm5U,2000583551U,nucleotide,Uridine,¾,None,CC(C)=CCNCc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C15H22N3O9P,None,419.324,None,,,,,False,False,False,,-0.4118,198.81,28,,11,4,InChI=1S/C15H24N3O9P/c1-8(2)3-4-16-5-9-6-18(15(22)17-13(9)21)14-12(20)11(19)10(27-14)7-26-28(23,24)25/h3,6,10-12,14,16,19-20H,4-5,7H2,1-2H3,(H,17,21,22)(H2,23,24,25)/p-2/t10-,11-,12-,14-/m1/s1,CHHXXKXVGJOBQC-HKUMRIAESA-L,True,True,True,True,True,True,True,True,True,True,,,,,,144,,,True,True,True,True,True,,,None,None
169,5-aminomethyl-2-geranylthiouridine,nm5ges2U,2000021510U,nucleoside,Uridine,Δ,None,CC(C)=CCC/C(/C)=C/CSc1nc(=O)c(CN)c[n]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C20H31N3O5S,425.1984,425.542,426.2062,,,,294,False,False,False,,1.7986,156.13,29,not applicable,9,4,InChI=1S/C20H31N3O5S/c1-12(2)5-4-6-13(3)7-8-29-20-22-18(27)14(9-21)10-23(20)19-17(26)16(25)15(11-24)28-19/h5,7,10,15-17,19,24-26H,4,6,8-9,11,21H2,1-3H3/b13-7+/t15-,16-,17-,19-/m1/s1,SOFILOWAOSHASN-JCPZAAIZSA-N,True,True,True,True,True,True,True,True,True,True,aminoalkyl,sulphur,hydrocarbon,,,,,,385,,False,False,True,True,True,HMDB0000884,,No,Yes
385,5-aminomethyl-2-geranylthiouridine-5'-monophosphate,pnm5ges2U,2021510551U,nucleotide,Uridine,Δ,None,CC(C)=CCC/C(/C)=C/CSc1nc(=O)c(CN)c[n]1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C20H30N3O8PS,None,503.506,None,,,,,False,False,False,,2.792,218.13,33,,12,3,InChI=1S/C20H32N3O8PS/c1-12(2)5-4-6-13(3)7-8-33-20-22-18(26)14(9-21)10-23(20)19-17(25)16(24)15(31-19)11-30-32(27,28)29/h5,7,10,15-17,19,24-25H,4,6,8-9,11,21H2,1-3H3,(H2,27,28,29)/p-2/b13-7+/t15-,16-,17-,19-/m1/s1,UYHOGLSFLXLTQG-JCPZAAIZSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,169,,,False,False,True,True,True,,,None,None
62,5-aminomethyl-2-selenouridine,nm5se2U,2000020510U,nucleoside,Uridine,π,None,NCc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=[Se])[nH]c1=O,Natural,C10H15N3O5Se,337.0176,336.203,336.0263,,,,204,False,False,False,,-2.3526,133.73,19,not applicable,7,5,InChI=1S/C10H15N3O5Se/c11-1-4-2-13(10(19)12-8(4)17)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,1,3,11H2,(H,12,17,19)/t5-,6-,7-,9-/m1/s1,TXBNEGXZZHLCQI-JXOAFFINSA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,methyl group,other,,Eubacteria,,,,386,,True,True,True,True,True,HMDB0000884,,No,Yes
386,5-aminomethyl-2-selenouridine-5'-monophosphate,pnm5se2U,2020510551U,nucleotide,Uridine,π,None,NCc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=[Se])[nH]c1=O,Natural,C10H14N3O8PSe,None,414.167,None,,,,,False,False,False,,-1.3592,195.73,23,,10,4,InChI=1S/C10H16N3O8PSe/c11-1-4-2-13(10(23)12-8(4)16)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,1,3,11H2,(H,12,16,23)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1,MWLSGCGJAKPFKZ-JXOAFFINSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,62,,,True,True,True,True,True,,,None,None
35,5-aminomethyl-2-thiouridine,nm5s2U,2000002510U,nucleoside,Uridine,∫,None,NCc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O,Natural,C10H15N3O5S,289.0732,289.308,290.081,,,,158,False,False,False,,-1.3236,165.82,19,not applicable,8,5,InChI=1S/C10H15N3O5S/c11-1-4-2-13(10(19)12-8(4)17)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,1,3,11H2,(H,12,17,19)/t5-,6-,7-,9-/m1/s1,LOEDKMLIGFMQKR-JXOAFFINSA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,methyl group,other,,Eubacteria,Eukaryota,,,,387,,True,True,True,True,True,HMDB0011610,,No,Yes
387,5-aminomethyl-2-thiouridine-5'-monophosphate,pnm5s2U,2002510551U,nucleotide,Uridine,∫,None,NCc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=S)[nH]c1=O,Natural,C10H14N3O8PS,None,367.272,None,,,,,False,False,False,,-0.3302,227.82,23,,11,4,InChI=1S/C10H16N3O8PS/c11-1-4-2-13(10(23)12-8(4)16)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,1,3,11H2,(H,12,16,23)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1,ZSPPRYMGXXVXGZ-JXOAFFINSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,35,,,True,True,True,True,True,,,None,None
115,5-aminomethyluridine,nm5U,2000000510C,nucleoside,Uridine,∪,None,NCc1c(=O)[nH]c(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c1,Natural,C10H15N3O6,273.0961,273.243,274.1039,,,,142,False,False,False,,-2.6929,150.8,19,not applicable,8,5,InChI=1S/C10H15N3O6/c11-1-4-2-13(10(18)12-8(4)17)9-7(16)6(15)5(3-14)19-9/h2,5-7,9,14-16H,1,3,11H2,(H,12,17,18)/t5-,6-,7-,9-/m1/s1,ZQVNMALZHZYKQM-JXOAFFINSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,other,,Eubacteria,Eukaryota,,,,355,,True,True,True,True,True,HMDB0000884,,No,Yes
355,5-aminomethyluridine-5'-monophosphate,pnm5U,2000510551U,nucleotide,Uridine,∪,None,NCc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C10H14N3O9P,None,351.207,None,,,,,False,False,False,,-1.6995,212.8,23,,11,4,InChI=1S/C10H16N3O9P/c11-1-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(22-9)3-21-23(18,19)20/h2,5-7,9,14-15H,1,3,11H2,(H,12,16,17)(H2,18,19,20)/p-2/t5-,6-,7-,9-/m1/s1,LMJYLWLUFBNTGQ-JXOAFFINSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,115,,,True,True,True,True,True,,,None,None
220,5-bromo-2'-deoxy-cytidine-5'-monophosphate,CBR,,nucleotide,Cytidine,㐆,15331965,[O-]P(OC[C@H]1O[C@@H](N2C(=O)N=C(N)C(Br)=C2)C[C@@H]1O)(=O)[O-],Unnatural,C9H13BrN3O7P,None,384.077,None,,,,,False,False,False,,-0.6542999999999999,157.13,34,not aplicable,10,2,InChI=1S/C9H13BrN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/p-2/t5-,6+,7+/m0/s1,PLDRCXOBLRYJSZ-RRKCRQDMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,CBR,Yes,Yes
234,5-bromo-2'-deoxyuridine-5'-monophosphate,BRU,,nucleotide,Uridine,㐍,93036,[O-]P(OC[C@H]1O[C@@H](N2C(=O)NC(=O)C(Br)=C2)C[C@@H]1O)(=O)[O-],Unnatural,C9H12BrN2O8P,None,384.054,None,None,None,,None,False,False,False,,-0.9431999999999998,151.08,33,not aplicable,9,1,InChI=1S/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/p-2/t5-,6+,7+/m0/s1,LHLHVDBXXZVYJT-RRKCRQDMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,BRU,Yes,Yes
188,5-bromo-uridine-5'-monophosphate,5BU,,nucleotide,Uridine,㑐,150973,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(Br)C(NC1=O)=O)(=O)[O-],Unnatural,C9H12BrN2O9P,None,400.054,None,,,,,False,False,False,,-1.9724,171.31,34,not aplicable,10,2,InChI=1S/C9H12BrN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/p-2/t4-,5-,6-,8-/m1/s1,IDPVUMJNEZFMNU-UAKXSSHOSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,5BU,No,Yes
206,5-bromocytidine 5'-(dihydrogen phosphate),CBV,,nucleotide,Cytidine,㐬,172916,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(Br)C(N)=NC1=O)(=O)[O-],Unnatural,C9H13BrN3O8P,None,400.077,None,,,,,False,False,False,,-1.6835,177.36,35,not aplicable,11,3,InChI=1S/C9H13BrN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/p-2/t4-,5-,6-,8-/m1/s1,KOHPTSGPCYTYFB-UAKXSSHOSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,CBV,No,Yes
163,5-carbamoylhydroxymethyluridine,nchm5U,2000000531U,nucleoside,Uridine,r,None,NC(C(O)c1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O)=O,Natural,C11H15N3O8,317.0859,317.252,318.0937,,,,186/169/141,False,False,False,,-3.6329,188.1,22,not applicable,10,6,InChI=1S/C11H15N3O8/c12-8(19)5(16)3-1-14(11(21)13-9(3)20)10-7(18)6(17)4(2-15)22-10/h1,4-7,10,15-18H,2H2,(H2,12,19)(H,13,20,21)/t4-,5?,6-,7-,10-/m1/s1,CMLZLJSTEBFOFC-XXWJQXOGSA-N,True,True,True,True,True,True,True,True,True,True,,,Eukaryota,,,,388,,True,True,True,True,True,HMDB0000884,,No,Yes
388,5-carbamoylhydroxymethyluridine-5'-monophosphate,pnchm5U,2000531551U,nucleotide,Uridine,r,None,NC(=O)C(O)c1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C11H14N3O11P,None,395.216,None,,,,,False,False,False,,-2.6395,250.1,26,,13,5,InChI=1S/C11H16N3O11P/c12-8(18)5(15)3-1-14(11(20)13-9(3)19)10-7(17)6(16)4(25-10)2-24-26(21,22)23/h1,4-7,10,15-17H,2H2,(H2,12,18)(H,13,19,20)(H2,21,22,23)/p-2/t4-,5?,6-,7-,10-/m1/s1,GDMWKOWSNWPNRJ-XXWJQXOGSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,163,,,True,True,True,True,True,,,None,None
29,5-carbamoylmethyl-2'-O-methyluridine,ncm5Um,2000009053U,nucleoside,Uridine,~,None,CO[C@H]1[C@H]([n]2cc(CC(N)=O)c(=O)[nH]c2=O)O[C@H](CO)[C@H]1O,Natural,C12H17N3O7,315.1066,315.279,316.1144,,,,170/153/125,False,False,False,,-2.4697,156.87,22,not applicable,9,4,InChI=1S/C12H17N3O7/c1-21-9-8(18)6(4-16)22-11(9)15-3-5(2-7(13)17)10(19)14-12(15)20/h3,6,8-9,11,16,18H,2,4H2,1H3,(H2,13,17)(H,14,19,20)/t6-,8-,9-,11-/m1/s1,VHXUHQJRMXUOST-PNHWDRBUSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,other,,,,,,389,,True,True,True,True,True,HMDB0000884,,No,Yes
389,5-carbamoylmethyl-2'-O-methyluridine-5'-monophosphate,pncm5Um,2009053551U,nucleotide,Uridine,~,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1cc(CC(N)=O)c(=O)[nH]c1=O,Natural,C12H16N3O10P,None,393.243,None,,,,,False,False,False,,-1.4763,218.87,26,,12,3,InChI=1S/C12H18N3O10P/c1-23-9-8(17)6(4-24-26(20,21)22)25-11(9)15-3-5(2-7(13)16)10(18)14-12(15)19/h3,6,8-9,11,17H,2,4H2,1H3,(H2,13,16)(H,14,18,19)(H2,20,21,22)/p-2/t6-,8-,9-,11-/m1/s1,OCCZGTFLYIJUAP-PNHWDRBUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,29,,,True,True,True,True,True,,,None,None
162,5-carbamoylmethyl-2-thiouridine,ncm5s2U,2000000253U,nucleoside,Uridine,l,None,NC(Cc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O)=O,Natural,C11H15N3O6S,317.0681,317.318,318.0759,,,,186/169/141,False,False,False,,-1.7545,182.89,21,not applicable,9,5,InChI=1S/C11H15N3O6S/c12-6(16)1-4-2-14(11(21)13-9(4)19)10-8(18)7(17)5(3-15)20-10/h2,5,7-8,10,15,17-18H,1,3H2,(H2,12,16)(H,13,19,21)/t5-,7-,8-,10-/m1/s1,DXTALIXGVSVUOM-VPCXQMTMSA-N,True,True,True,True,True,True,True,True,True,True,,,Eukaryota,,,,390,,True,True,True,True,True,HMDB0000884,,No,Yes
390,5-carbamoylmethyl-2-thiouridine-5'-monophosphate,pncm5s2U,2000253551U,nucleotide,Uridine,l,None,NC(=O)Cc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=S)[nH]c1=O,Natural,C11H14N3O9PS,None,395.282,None,,,,,False,False,False,,-0.7611,244.89,25,,12,4,InChI=1S/C11H16N3O9PS/c12-6(15)1-4-2-14(11(25)13-9(4)18)10-8(17)7(16)5(23-10)3-22-24(19,20)21/h2,5,7-8,10,16-17H,1,3H2,(H2,12,15)(H,13,18,25)(H2,19,20,21)/p-2/t5-,7-,8-,10-/m1/s1,GWSKKNAPTCDAAK-VPCXQMTMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,162,,,True,True,True,True,True,,,None,None
43,5-carbamoylmethyluridine,ncm5U,2000000053U,nucleoside,Uridine,&,None,NC(Cc1c(=O)[nH]c(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c1)=O,Natural,C11H15N3O7,301.091,301.253,302.0988,0,50 (Kellner 2014),between C and U (Kellner 2014),904,905,170/153/125,False,False,False,,-3.1238,167.87,21,not applicable,9,5,InChI=1S/C11H15N3O7/c12-6(16)1-4-2-14(11(20)13-9(4)19)10-8(18)7(17)5(3-15)21-10/h2,5,7-8,10,15,17-18H,1,3H2,(H2,12,16)(H,13,19,20)/t5-,7-,8-,10-/m1/s1,ZYEWPVTXYBLWRT-VPCXQMTMSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,other,tRNA,Eukaryota,,,,356,,True,True,True,True,True,HMDB0000884,,No,Yes
356,5-carbamoylmethyluridine-5'-monophosphate,pncm5U,2000053551U,nucleotide,Uridine,&,None,NC(=O)Cc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C11H14N3O10P,None,379.217,None,,,,,False,False,False,,-2.1304,229.87,25,,12,4,InChI=1S/C11H16N3O10P/c12-6(15)1-4-2-14(11(19)13-9(4)18)10-8(17)7(16)5(24-10)3-23-25(20,21)22/h2,5,7-8,10,16-17H,1,3H2,(H2,12,15)(H,13,18,19)(H2,20,21,22)/p-2/t5-,7-,8-,10-/m1/s1,MRWKNZNVUYTQTF-VPCXQMTMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,43,,,True,True,True,True,True,,,None,None
73,5-carboxyhydroxymethyluridine,chm5U,2000000520U,nucleoside,Uridine,≥,None,OC[C@@H]1[C@@H](O)[C@@H](O)[C@H]([n]2c(=O)[nH]c(=O)c(C(C(=O)O)O)c2)O1,Natural,C11H14N2O9,318.0699,318.237,319.0777,,,,187/169/141,False,False,False,,-3.7339,182.31,22,not applicable,10,6,InChI=1S/C11H14N2O9/c14-2-4-6(16)7(17)9(22-4)13-1-3(5(15)10(19)20)8(18)12-11(13)21/h1,4-7,9,14-17H,2H2,(H,19,20)(H,12,18,21)/t4-,5?,6-,7-,9-/m1/s1,UVGCZRPOXXYZKH-QADQDURISA-N,True,True,True,True,True,True,True,True,True,True,other,other,,,,,,357,,True,True,True,True,True,HMDB0000884,,No,Yes
357,5-carboxyhydroxymethyluridine-5'-monophosphate,pchm5U,2000520551U,nucleotide,Uridine,≥,None,O=C(O)C(O)c1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C11H13N2O12P,None,396.201,None,,,,,False,False,False,,-2.7405,244.31,26,,13,5,InChI=1S/C11H15N2O12P/c14-5(10(18)19)3-1-13(11(20)12-8(3)17)9-7(16)6(15)4(25-9)2-24-26(21,22)23/h1,4-7,9,14-16H,2H2,(H,18,19)(H,12,17,20)(H2,21,22,23)/p-2/t4-,5?,6-,7-,9-/m1/s1,NCDMDGBJHKQXAT-QADQDURISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,73,,,True,True,True,True,True,,,None,None
11,5-carboxymethyl-2-thiouridine,cm5s2U,2000002540U,nucleoside,Uridine,℘,None,OC(Cc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O)=O,Natural,C11H14N2O7S,318.0522,318.303,319.06,,,,187/169/141,False,False,False,,-1.8555,177.1,21,not applicable,9,5,InChI=1S/C11H14N2O7S/c14-3-5-7(17)8(18)10(20-5)13-2-4(1-6(15)16)9(19)12-11(13)21/h2,5,7-8,10,14,17-18H,1,3H2,(H,15,16)(H,12,19,21)/t5-,7-,8-,10-/m1/s1,MSGFOEBMIJOVCL-VPCXQMTMSA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,other,,Eukaryota,,This is an artificial substrate obtained by alkaline hydrolysis of mcm5s2U.,,391,,True,True,True,True,True,HMDB0011610,,No,Yes
391,5-carboxymethyl-2-thiouridine-5'-monophosphate,pcm5s2U,2002540551U,nucleotide,Uridine,℘,None,O=C(O)Cc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=S)[nH]c1=O,Natural,C11H13N2O10PS,None,396.267,None,,,,,False,False,False,,-0.8621,239.1,25,,12,4,InChI=1S/C11H15N2O10PS/c14-6(15)1-4-2-13(11(25)12-9(4)18)10-8(17)7(16)5(23-10)3-22-24(19,20)21/h2,5,7-8,10,16-17H,1,3H2,(H,14,15)(H,12,18,25)(H2,19,20,21)/p-2/t5-,7-,8-,10-/m1/s1,WHQJHPYJUYJVPB-VPCXQMTMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,11,,,True,True,True,True,True,,,None,None
23,5-carboxymethylaminomethyl-2'-O-methyluridine,cmnm5Um,2000009051U,nucleoside,Uridine,),None,CO[C@H]1[C@H]([n]2cc(CNCC(O)=O)c(=O)[nH]c2=O)O[C@H](CO)[C@H]1O,Natural,C13H19N3O8,345.1172,345.305,346.125,,,,271/221/111/129/253/200,False,False,False,,-2.6327,163.11,24,not applicable,10,5,InChI=1S/C13H19N3O8/c1-23-10-9(20)7(5-17)24-12(10)16-4-6(2-14-3-8(18)19)11(21)15-13(16)22/h4,7,9-10,12,14,17,20H,2-3,5H2,1H3,(H,18,19)(H,15,21,22)/t7-,9-,10-,12-/m1/s1,SFFCQAIBJUCFJK-UGKPPGOTSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,methyl group,other,tRNA,Eubacteria,,,,392,,True,True,True,True,True,HMDB0000884,,No,Yes
392,5-carboxymethylaminomethyl-2'-O-methyluridine-5'-monophosphate,pcmnm5Um,2009051551U,nucleotide,Uridine,),None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1cc(CNCC(=O)O)c(=O)[nH]c1=O,Natural,C13H18N3O11P,None,423.269,None,,,,,False,False,False,,-1.6393,225.11,28,,13,4,InChI=1S/C13H20N3O11P/c1-25-10-9(19)7(5-26-28(22,23)24)27-12(10)16-4-6(2-14-3-8(17)18)11(20)15-13(16)21/h4,7,9-10,12,14,19H,2-3,5H2,1H3,(H,17,18)(H,15,20,21)(H2,22,23,24)/p-2/t7-,9-,10-,12-/m1/s1,LUFOMOLJKLANEQ-UGKPPGOTSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,23,,,True,True,True,True,True,,,None,None
167,5-carboxymethylaminomethyl-2-geranylthiouridine,cmnm5ges2U,2000002151U,nucleoside,Uridine,f,None,CC(C)=CCC/C(/C)=C/CSc1nc(=O)c(CNCC(O)=O)c[n]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C22H33N3O7S,483.2039,483.578,484.2117,,,,352,False,False,False,,1.2047,179.44,33,not applicable,11,5,InChI=1S/C22H33N3O7S/c1-13(2)5-4-6-14(3)7-8-33-22-24-20(31)15(9-23-10-17(27)28)11-25(22)21-19(30)18(29)16(12-26)32-21/h5,7,11,16,18-19,21,23,26,29-30H,4,6,8-10,12H2,1-3H3,(H,27,28)/b14-7+/t16-,18-,19-,21-/m1/s1,NXZZCKRVWCFFSC-VRIUFTQCSA-N,True,True,True,True,True,True,True,True,True,True,aminoalkyl,sulphur,hydrocarbon,tRNA,Eubacteria,,Present in position 34 in a small fraction of E. coli tRNAGlnUUG.,,393,740,741,True,True,True,True,True,HMDB0011610,,No,Yes
393,5-carboxymethylaminomethyl-2-geranylthiouridine-5'-monophosphate,pcmnm5ges2U,2002151551U,nucleotide,Uridine,f,None,CC(C)=CCC/C(/C)=C/CSc1nc(=O)c(CNCC(=O)O)c[n]1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C22H32N3O10PS,None,561.542,None,,,,,False,False,False,,2.1981,241.44,37,,14,4,InChI=1S/C22H34N3O10PS/c1-13(2)5-4-6-14(3)7-8-37-22-24-20(30)15(9-23-10-17(26)27)11-25(22)21-19(29)18(28)16(35-21)12-34-36(31,32)33/h5,7,11,16,18-19,21,23,28-29H,4,6,8-10,12H2,1-3H3,(H,26,27)(H2,31,32,33)/p-2/b14-7+/t16-,18-,19-,21-/m1/s1,ARAJCVLQEINHNP-VRIUFTQCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,167,,,True,True,True,True,True,,,None,None
54,5-carboxymethylaminomethyl-2-selenouridine,cmnm5se2U,2000002051U,nucleoside,Uridine,⊥,None,OC(CNCc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=[Se])[nH]c1=O)=O,Natural,C12H17N3O7Se,393.0239,394.239,394.0317,,,,262,False,False,False,,-2.9465,157.04,23,not applicable,9,6,InChI=1S/C12H17N3O7Se/c16-4-6-8(19)9(20)11(22-6)15-3-5(1-13-2-7(17)18)10(21)14-12(15)23/h3,6,8-9,11,13,16,19-20H,1-2,4H2,(H,17,18)(H,14,21,23)/t6-,8-,9-,11-/m1/s1,FTQSTTKLDJRQDV-PNHWDRBUSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,heavy atom,methyl group,other,,Eubacteria,,,,394,,True,True,True,True,True,HMDB0000884,,No,Yes
394,5-carboxymethylaminomethyl-2-selenouridine-5'-monophosphate,pcmnm5se2U,2002051551U,nucleotide,Uridine,⊥,None,O=C(O)CNCc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=[Se])[nH]c1=O,Natural,C12H16N3O10PSe,None,472.203,None,,,,,False,False,False,,-1.9531,219.04,27,,12,5,InChI=1S/C12H18N3O10PSe/c16-7(17)2-13-1-5-3-15(12(27)14-10(5)20)11-9(19)8(18)6(25-11)4-24-26(21,22)23/h3,6,8-9,11,13,18-19H,1-2,4H2,(H,16,17)(H,14,20,27)(H2,21,22,23)/p-2/t6-,8-,9-,11-/m1/s1,SWUOPVYQJXQVPM-PNHWDRBUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,54,,,True,True,True,True,True,,,None,None
45,5-carboxymethylaminomethyl-2-thiouridine,cmnm5s2U,2000000251U,nucleoside,Uridine,$,3037867,OC(CNCc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O)=O,Natural,C12H17N3O7S,347.0787,347.344,348.0865,,,,255/273/141/216/237/225,False,False,False,,-1.9175,189.13,23,not applicable,10,6,InChI=1S/C12H17N3O7S/c16-4-6-8(19)9(20)11(22-6)15-3-5(1-13-2-7(17)18)10(21)14-12(15)23/h3,6,8-9,11,13,16,19-20H,1-2,4H2,(H,17,18)(H,14,21,23)/t6-,8-,9-,11-/m1/s1,VKLFQTYNHLDMDP-PNHWDRBUSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,heavy atom,methyl group,other,tRNA,Eubacteria,Eukaryota,,,,395,,True,True,True,True,True,HMDB0011610,,No,Yes
395,5-carboxymethylaminomethyl-2-thiouridine-5'-monophosphate,pcmnm5s2U,2000251551U,nucleotide,Uridine,$,None,O=C(O)CNCc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=S)[nH]c1=O,Natural,C12H16N3O10PS,None,425.308,None,,,,,False,False,False,,-0.9241,251.13,27,,13,5,InChI=1S/C12H18N3O10PS/c16-7(17)2-13-1-5-3-15(12(27)14-10(5)20)11-9(19)8(18)6(25-11)4-24-26(21,22)23/h3,6,8-9,11,13,18-19H,1-2,4H2,(H,16,17)(H,14,20,27)(H2,21,22,23)/p-2/t6-,8-,9-,11-/m1/s1,AMPUNKYTTFDUHI-PNHWDRBUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,45,,,True,True,True,True,True,,,None,None
87,5-carboxymethylaminomethyluridine,cmnm5U,2000000051U,nucleoside,Uridine,!,194306,OC[C@@H]1[C@@H](O)[C@@H](O)[C@H]([n]2c(=O)[nH]c(=O)c(CNCC(=O)O)c2)O1,Natural,C12H17N3O8,331.1016,331.279,332.1094,,,,239/257/209/125/200/221,False,False,False,,-3.2868,174.11,23,not applicable,10,6,InChI=1S/C12H17N3O8/c16-4-6-8(19)9(20)11(23-6)15-3-5(1-13-2-7(17)18)10(21)14-12(15)22/h3,6,8-9,11,13,16,19-20H,1-2,4H2,(H,17,18)(H,14,21,22)/t6-,8-,9-,11-/m1/s1,VSCNRXVDHRNJOA-PNHWDRBUSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,methyl group,other,tRNA,Eubacteria,Eukaryota,,,,358,,True,True,True,True,True,HMDB0000884,,No,Yes
358,5-carboxymethylaminomethyluridine-5'-monophosphate,pcmnm5U,2000051551U,nucleotide,Uridine,!,None,O=C(O)CNCc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C12H16N3O11P,None,409.243,None,,,,,False,False,False,,-2.2934,236.11,27,,13,5,InChI=1S/C12H18N3O11P/c16-7(17)2-13-1-5-3-15(12(21)14-10(5)20)11-9(19)8(18)6(26-11)4-25-27(22,23)24/h3,6,8-9,11,13,18-19H,1-2,4H2,(H,16,17)(H,14,20,21)(H2,22,23,24)/p-2/t6-,8-,9-,11-/m1/s1,GYYYHBVNJWAMMS-PNHWDRBUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,87,,,True,True,True,True,True,,,None,None
44,5-carboxymethyluridine,cm5U,2000000052U,nucleoside,Uridine,◊,3080720,OC[C@@H]1[C@@H](O)[C@@H](O)[C@H]([n]2c(=O)[nH]c(=O)c(CC(=O)O)c2)O1,Natural,C11H14N2O8,302.075,302.237,303.0828,,,905,171,False,False,False,,-3.2248,162.08,21,not applicable,9,5,InChI=1S/C11H14N2O8/c14-3-5-7(17)8(18)10(21-5)13-2-4(1-6(15)16)9(19)12-11(13)20/h2,5,7-8,10,14,17-18H,1,3H2,(H,15,16)(H,12,19,20)/t5-,7-,8-,10-/m1/s1,FAWQJBLSWXIJLA-VPCXQMTMSA-N,True,True,True,True,True,True,True,True,True,True,other,,Eukaryota,,,,359,,True,True,True,True,True,HMDB0000884,,No,Yes
359,5-carboxymethyluridine-5'-monophosphate,pcm5U,2000052551U,nucleotide,Uridine,◊,None,O=C(O)Cc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C11H13N2O11P,None,380.201,None,,,,,False,False,False,,-2.2314,224.08,25,,12,4,InChI=1S/C11H15N2O11P/c14-6(15)1-4-2-13(11(19)12-9(4)18)10-8(17)7(16)5(24-10)3-23-25(20,21)22/h2,5,7-8,10,16-17H,1,3H2,(H,14,15)(H,12,18,19)(H2,20,21,22)/p-2/t5-,7-,8-,10-/m1/s1,ZTPKIUNKMMFLJR-VPCXQMTMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,44,,,True,True,True,True,True,,,None,None
178,5-cyanomethyluridine,cnm5U,2000000055U,nucleoside,Uridine,Ѷ,None,N#CCc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C11H13N3O6,283.0804,283.237,284.0882,,,,152,False,False,False,,-2.78582,148.57,20,not applicable,8,4,InChI=1S/C11H13N3O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h3,6-8,10,15-17H,1,4H2,(H,13,18,19)/t6-,7-,8-,10-/m1/s1,PCNJJZGTFWYSCJ-FDDDBJFASA-N,True,True,True,True,True,True,True,True,True,True,methyl group,other,,,,Identified in mutant tRNAIle from Haloarcula marismortui. Present in total tRNAs from euryarchaea but not in crenarchaea, eubacteria, or eukaryotes.,,396,,True,True,True,True,True,HMDB0000884,,No,Yes
396,5-cyanomethyluridine-5'-monophosphate,pcnm5U,2000055551U,nucleotide,Uridine,Ѷ,None,N#CCc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C11H12N3O9P,None,361.201,None,,,,,False,False,False,,-1.79242,210.57,24,,11,3,InChI=1S/C11H14N3O9P/c12-2-1-5-3-14(11(18)13-9(5)17)10-8(16)7(15)6(23-10)4-22-24(19,20)21/h3,6-8,10,15-16H,1,4H2,(H,13,17,18)(H2,19,20,21)/p-2/t6-,7-,8-,10-/m1/s1,HETBXBFLNMFYOB-FDDDBJFASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,178,,,True,True,True,True,True,,,None,None
248,5-fluorocytidine 5'-(dihydrogen phosphate),5CF,,nucleotide,Cytidine,㐭,191215,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(N)=NC1=O)(=O)[O-],Unnatural,C9H13FN3O8P,None,339.171,None,None,None,,None,False,False,False,,-2.3068999999999997,177.36,35,not aplicable,11,3,InChI=1S/C9H13FN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/p-2/t4-,5-,6-,8-/m1/s1,VLZKLBLFWAHHJM-UAKXSSHOSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,5CF,No,Yes
104,5-formyl-2'-O-methylcytidine,f5Cm,2000009071C,nucleoside,Cytidine,°,None,CO[C@H]1[C@H]([n]2cc(C=O)c(N)nc2=O)O[C@H](CO)[C@H]1O,Natural,C11H15N3O6,285.0961,285.253,286.1039,,,,140,False,False,False,,-1.5152,136.9,20,not applicable,9,3,InChI=1S/C11H15N3O6/c1-19-8-7(17)6(4-16)20-10(8)14-2-5(3-15)9(12)13-11(14)18/h2-3,6-8,10,16-17H,4H2,1H3,(H2,12,13,18)/t6-,7-,8-,10-/m1/s1,YBBDRHCNZBVLGT-FDDDBJFASA-N,True,True,True,True,True,True,True,True,True,True,methyl group,other,tRNA,,,,,397,,True,True,True,True,True,HMDB0000982,,No,Yes
397,5-formyl-2'-O-methylcytidine-5'-monophosphate,pf5Cm,2009071551C,nucleotide,Cytidine,°,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1cc(C=O)c(N)nc1=O,Natural,C11H14N3O9P,None,363.217,None,,,,,False,False,False,,-0.5218,198.9,24,,12,2,InChI=1S/C11H16N3O9P/c1-21-8-7(16)6(4-22-24(18,19)20)23-10(8)14-2-5(3-15)9(12)13-11(14)17/h2-3,6-8,10,16H,4H2,1H3,(H2,12,13,17)(H2,18,19,20)/p-2/t6-,7-,8-,10-/m1/s1,QJRXPHMEODRHQV-FDDDBJFASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,104,,,True,True,True,True,True,,,None,None
31,5-formylcytidine,f5C,2000000071C,nucleoside,Cytidine,>,None,Nc1nc(=O)[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1C=O,Natural,C10H13N3O6,271.0804,271.227,272.0882,,,,140,False,False,False,,-2.1693,147.9,19,not applicable,9,4,InChI=1S/C10H13N3O6/c11-8-4(2-14)1-13(10(18)12-8)9-7(17)6(16)5(3-15)19-9/h1-2,5-7,9,15-17H,3H2,(H2,11,12,18)/t5-,6-,7-,9-/m1/s1,OCMSXKMNYAHJMU-JXOAFFINSA-N,True,True,True,True,True,True,True,True,True,True,other,tRNA,,,,,232,,True,True,True,True,True,HMDB0000982,,No,Yes
232,5-formylcytidine 5'-(dihydrogen phosphate),pf5C,2000071551C,nucleotide,Cytidine,>,None,Nc1nc(=O)[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1C=O,Natural,C10H12N3O9P,None,349.191,None,,,,,False,False,False,,-1.1759,209.9,23,not aplicable,12,3,InChI=1S/C10H14N3O9P/c11-8-4(2-14)1-13(10(17)12-8)9-7(16)6(15)5(22-9)3-21-23(18,19)20/h1-2,5-7,9,15-16H,3H2,(H2,11,12,17)(H2,18,19,20)/p-2/t5-,6-,7-,9-/m1/s1,ANRZHYHASGTOLD-JXOAFFINSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,31,,,True,True,True,True,True,,RSQ,No,Yes
143,5-hydroxycytidine,ho5C,2000000050C,nucleoside,Cytidine,Ç,None,Nc1nc(=O)[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1O,Natural,C9H13N3O6,259.0804,259.216,260.0877,,,,128,False,False,False,,-2.2762,151.06,18,not applicable,9,5,InChI=1S/C9H13N3O6/c10-7-3(14)1-12(9(17)11-7)8-6(16)5(15)4(2-13)18-8/h1,4-6,8,13-16H,2H2,(H2,10,11,17)/t4-,5-,6-,8-/m1/s1,MPPUDRFYDKDPBN-UAKXSSHOSA-N,True,True,True,True,True,True,True,True,True,True,other,rRNA,,,,,398,294,738,True,True,True,True,True,HMDB0000089,,No,Yes
398,5-hydroxycytidine-5'-monophosphate,pho5C,2000050551C,nucleotide,Cytidine,Ç,None,Nc1nc(=O)[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1O,Natural,C9H12N3O9P,None,337.18,None,,,,,False,False,False,,-1.2828,213.06,22,,12,4,InChI=1S/C9H14N3O9P/c10-7-3(13)1-12(9(16)11-7)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-15H,2H2,(H2,10,11,16)(H2,17,18,19)/p-2/t4-,5-,6-,8-/m1/s1,QONOHPMEMVHOPP-UAKXSSHOSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,143,,,True,True,True,True,True,,,None,None
119,5-hydroxymethylcytidine,hm5C,2000000051C,nucleoside,Cytidine,Ƣ,None,Nc1nc(=O)[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1CO,Natural,C10H15N3O6,273.0961,273.243,274.1039,0,52 (Kellner 2014),between C and U (Kellner 2014),906,142,False,False,False,,-2.4895,151.06,19,not applicable,9,5,InChI=1S/C10H15N3O6/c11-8-4(2-14)1-13(10(18)12-8)9-7(17)6(16)5(3-15)19-9/h1,5-7,9,14-17H,2-3H2,(H2,11,12,18)/t5-,6-,7-,9-/m1/s1,NFEXJLMYXXIWPI-JXOAFFINSA-N,True,True,True,True,True,True,True,True,True,True,other,,,,,,254,,True,True,True,True,True,HMDB0000982,,No,Yes
64,5-hydroxyuridine,ho5U,2000000050U,nucleoside,Uridine,∝,None,OC[C@@H]1[C@@H](O)[C@@H](O)[C@H]([n]2c(=O)[nH]c(=O)c(O)c2)O1,Natural,C9H12N2O7,260.0645,260.201,261.0717,,,,129,False,False,False,,-3.1463,145.01,18,not applicable,8,5,InChI=1S/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5-,6-,8-/m1/s1,QXDXBKZJFLRLCM-UAKXSSHOSA-N,True,True,True,True,True,True,True,True,True,True,other,,Eubacteria,,ho5U at the wobble position of bacterial tRNA has been demonstrated in null-mutation CmoB. Null mutation of CmoA in S. enterica results in the accummulation of tRNA containing mo5U34 and ho5U34.,,360,348,349,True,True,True,True,True,HMDB0000296,,No,Yes
360,5-hydroxyuridine-5'-monophosphate,pho5U,2000050551U,nucleotide,Uridine,∝,None,O=c1[nH]c(=O)[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1O,Natural,C9H11N2O10P,None,338.165,None,,,,,False,False,False,,-2.1529,207.01,22,,11,4,InChI=1S/C9H13N2O10P/c12-3-1-11(9(16)10-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,12-14H,2H2,(H,10,15,16)(H2,17,18,19)/p-2/t4-,5-,6-,8-/m1/s1,YGRIIPJUCYYPFJ-UAKXSSHOSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,64,,,True,True,True,True,True,,,None,None
305,5-iodo-cytidine-5'-monophosphate,5IC,,nucleotide,Cytidine,㐮,49866533,[O-]P(OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1C=C(I)C(N)=NC1=O)(=O)[O-],Unnatural,C9H13IN3O8P,None,447.077,None,None,None,,None,False,False,False,,-1.8414,177.36,35,not aplicable,11,3,InChI=1S/C9H13IN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/p-2/t4-,5-,6+,8-/m1/s1,CIUBKYYOJNFMQN-MNCSTQPFSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,5IC,No,Yes
226,5-iodouridine-5'-monophosphate,IU,,nucleotide,Uridine,㑑,44829127,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(I)C(NC1=O)=O)(=O)[O-],Unnatural,C9H12IN2O9P,None,447.054,None,,,,,False,False,False,,-2.1303,171.31,34,not aplicable,10,2,InChI=1S/C9H12IN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/p-2/t4-,5-,6-,8-/m1/s1,HXJLWCWPONZYNP-UAKXSSHOSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,IU,No,Yes
80,5-methoxycarbonylmethyl-2'-O-methyluridine,mcm5Um,2000090521U,nucleoside,Uridine,∩,None,CO[C@H]1[C@H]([n]2c(=O)[nH]c(=O)c(CC(OC)=O)c2)O[C@H](CO)[C@H]1O,Natural,C13H18N2O8,330.1063,330.291,331.1141,,,905,185,False,False,False,,-2.4823,140.08,23,not applicable,9,3,InChI=1S/C13H18N2O8/c1-21-8(17)3-6-4-15(13(20)14-11(6)19)12-10(22-2)9(18)7(5-16)23-12/h4,7,9-10,12,16,18H,3,5H2,1-2H3,(H,14,19,20)/t7-,9-,10-,12-/m1/s1,XOTXNXXJZCFUOA-UGKPPGOTSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,other,other,tRNA,,,,,361,,True,True,True,True,True,HMDB0000884,,No,Yes
361,5-methoxycarbonylmethyl-2'-O-methyluridine-5'-monophosphate,pmcm5Um,2090521551U,nucleotide,Uridine,∩,None,COC(=O)Cc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2OC)c(=O)[nH]c1=O,Natural,C13H17N2O11P,None,408.255,None,,,,,False,False,False,,-1.4889,202.08,27,,12,2,InChI=1S/C13H19N2O11P/c1-23-8(16)3-6-4-15(13(19)14-11(6)18)12-10(24-2)9(17)7(26-12)5-25-27(20,21)22/h4,7,9-10,12,17H,3,5H2,1-2H3,(H,14,18,19)(H2,20,21,22)/p-2/t7-,9-,10-,12-/m1/s1,GZAMBUBZYGENPM-UGKPPGOTSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,80,,,True,True,True,True,True,,,None,None
68,5-methoxycarbonylmethyl-2-thiouridine,mcm5s2U,2000002521U,nucleoside,Uridine,3,None,COC(Cc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O)=O,Natural,C12H16N2O7S,332.0678,332.33,333.0756,1,78 (Kellner 2014),between A and m6A (Kellner 2014),904,905,201/169/141,False,False,False,,-1.7671,166.1,22,not applicable,9,4,InChI=1S/C12H16N2O7S/c1-20-7(16)2-5-3-14(12(22)13-10(5)19)11-9(18)8(17)6(4-15)21-11/h3,6,8-9,11,15,17-18H,2,4H2,1H3,(H,13,19,22)/t6-,8-,9-,11-/m1/s1,HLZXTFWTDIBXDF-PNHWDRBUSA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,other,other,tRNA,Eukaryota,,,,223,,True,True,True,True,True,HMDB0011610,,No,Yes
27,5-methoxycarbonylmethyluridine,mcm5U,2000000521U,nucleoside,Uridine,1,None,COC(Cc1c(=O)[nH]c(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c1)=O,Natural,C12H16N2O8,316.0907,316.264,317.0985,,,905,185/153/125,False,False,False,,-3.1364,151.08,22,not applicable,9,4,InChI=1S/C12H16N2O8/c1-21-7(16)2-5-3-14(12(20)13-10(5)19)11-9(18)8(17)6(4-15)22-11/h3,6,8-9,11,15,17-18H,2,4H2,1H3,(H,13,19,20)/t6-,8-,9-,11-/m1/s1,YIZYCHKPHCPKHZ-PNHWDRBUSA-N,True,True,True,True,True,True,True,True,True,True,other,other,tRNA,Eukaryota,,,,362,896,True,True,True,True,True,HMDB0000884,,No,Yes
362,5-methoxycarbonylmethyluridine-5'-monophosphate,pmcm5U,2000521551U,nucleotide,Uridine,1,None,COC(=O)Cc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C12H15N2O11P,None,394.228,None,,,,,False,False,False,,-2.143,213.08,26,,12,3,InChI=1S/C12H17N2O11P/c1-23-7(15)2-5-3-14(12(19)13-10(5)18)11-9(17)8(16)6(25-11)4-24-26(20,21)22/h3,6,8-9,11,16-17H,2,4H2,1H3,(H,13,18,19)(H2,20,21,22)/p-2/t6-,8-,9-,11-/m1/s1,XSGNNPARNNTNEC-PNHWDRBUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,27,,,True,True,True,True,True,,,None,None
74,5-methoxyuridine,mo5U,2000000501U,nucleoside,Uridine,5,169704,COc1c(=O)[nH]c(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c1,Natural,C10H14N2O7,274.0801,274.227,275.0879,,,,143,False,False,False,,-2.8433,134.01,19,not applicable,8,4,InChI=1S/C10H14N2O7/c1-18-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)19-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1,ZXIATBNUWJBBGT-JXOAFFINSA-N,True,True,True,True,True,True,True,True,True,True,other,tRNA,Eubacteria,,mo5U is a modification characteristic for gram positive bacteria (B. subtilis, Firmicutes). Gram negative bacteria have cmo5U and mcmo5U in this position (E. coli, Protebacteria). 
Null mutation of cmoA in S. enterica results in the accummulation of tRNA containing mo5U34 and ho5U34.,,363,101,350,True,True,True,True,True,HMDB0000296,,No,Yes
363,5-methoxyuridine-5'-monophosphate,pmo5U,2000501551U,nucleotide,Uridine,5,None,COc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C10H13N2O10P,None,352.191,None,,,,,False,False,False,,-1.8499,196.01,23,,11,3,InChI=1S/C10H15N2O10P/c1-20-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(22-9)3-21-23(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1,UAVXJXAREPXQGC-JXOAFFINSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,74,,,True,True,True,True,True,,,None,None
318,5-methyl-2'-deoxy-cytidine-5'-monophosphate,,,nucleotide,Cytidine,,None,Nc1c(C)c[n]([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)C2)c(=O)n1,Natural,C10H14N3O7P,None,319.208,None,None,None,,None,False,False,False,,0.3492,172.6,21,not aplicable,10,2,InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/p-2/t6-,7+,8+/m0/s1,RGDVNLHBCKWZDA-XLPZGREQSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,5CM,Yes,No
3,5-methyl-2-thiouridine,m5s2U,2000000025U,nucleoside,Uridine,F,3035361,Cc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O,Natural,C10H14N2O5S,274.0623,274.294,275.0701,1,36 (Kellner 2014),between G and A (Kellner 2014),906,143,False,False,False,,-1.1742,139.8,18,not applicable,7,4,InChI=1S/C10H14N2O5S/c1-4-2-12(10(18)11-8(4)16)9-7(15)6(14)5(3-13)17-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,18)/t5-,6-,7-,9-/m1/s1,SNNBPMAXGYBMHM-JXOAFFINSA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,methyl group,tRNA,Eukaryota,,,,399,,True,True,True,True,True,HMDB0000884,,No,Yes
399,5-methyl-2-thiouridine-5'-monophosphate,pm5s2U,2000025551U,nucleotide,Uridine,F,None,Cc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=S)[nH]c1=O,Natural,C10H13N2O8PS,None,352.258,None,,,,,False,False,False,,-0.1808,201.8,22,,10,3,InChI=1S/C10H15N2O8PS/c1-4-2-12(10(22)11-8(4)15)9-7(14)6(13)5(20-9)3-19-21(16,17)18/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,22)(H2,16,17,18)/p-2/t5-,6-,7-,9-/m1/s1,TYPPXSBSSBTYPX-JXOAFFINSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,3,,,True,True,True,True,True,,,None,None
168,5-methylaminomethyl-2-geranylthiouridine,mnm5ges2U,2000021511U,nucleoside,Uridine,h,None,CC(C)=CCC/C(/C)=C/CSc1nc(=O)c(CNC)c[n]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C21H33N3O5S,439.2141,439.569,440.2219,,,,308,False,False,False,,1.7499,142.14,30,not applicable,9,4,InChI=1S/C21H33N3O5S/c1-13(2)6-5-7-14(3)8-9-30-21-23-19(28)15(10-22-4)11-24(21)20-18(27)17(26)16(12-25)29-20/h6,8,11,16-18,20,22,25-27H,5,7,9-10,12H2,1-4H3/b14-8+/t16-,17-,18-,20-/m1/s1,SKDHEHNCZUCNQA-BEBLDIKLSA-N,True,True,True,True,True,True,True,True,True,True,aminoalkyl,hydrocarbon,sulphur,hydrocarbon,tRNA,Eubacteria,,Present in position 34 in about 2.8-6.7% of E. coli tRNALysUUU and tRNAGluUUC.,,400,740,741,False,False,True,True,True,HMDB0011610,,No,Yes
400,5-methylaminomethyl-2-geranylthiouridine-5'-monophosphate,pmnm5ges2U,2021511551U,nucleotide,Uridine,h,None,CNCc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(SC/C=C(\C)/CCC=C(C)C)nc1=O,Natural,C21H32N3O8PS,None,517.533,None,,,,,False,False,False,,2.7433,204.14,34,,12,3,InChI=1S/C21H34N3O8PS/c1-13(2)6-5-7-14(3)8-9-34-21-23-19(27)15(10-22-4)11-24(21)20-18(26)17(25)16(32-20)12-31-33(28,29)30/h6,8,11,16-18,20,22,25-26H,5,7,9-10,12H2,1-4H3,(H2,28,29,30)/p-2/b14-8+/t16-,17-,18-,20-/m1/s1,XALJYOKEKNKZCA-BEBLDIKLSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,168,,,False,False,True,True,True,,,None,None
78,5-methylaminomethyl-2-selenouridine,mnm5se2U,2000020511U,nucleoside,Uridine,≅,6336326,CNCc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=[Se])[nH]c1=O,Natural,C11H17N3O5Se,349.0341,350.23,350.0419,,,,218,False,False,False,,-2.4013,119.74,20,not applicable,7,5,InChI=1S/C11H17N3O5Se/c1-12-2-5-3-14(11(20)13-9(5)18)10-8(17)7(16)6(4-15)19-10/h3,6-8,10,12,15-17H,2,4H2,1H3,(H,13,18,20)/t6-,7-,8-,10-/m1/s1,LKYNRXHIWDCZMH-FDDDBJFASA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,methyl group,other,tRNA,Eubacteria,,,,401,,True,True,True,True,True,HMDB0000884,,No,Yes
401,5-methylaminomethyl-2-selenouridine-5'-monophosphate,pmnm5se2U,2020511551U,nucleotide,Uridine,≅,None,CNCc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=[Se])[nH]c1=O,Natural,C11H16N3O8PSe,None,428.194,None,,,,,False,False,False,,-1.4079,181.74,24,,10,4,InChI=1S/C11H18N3O8PSe/c1-12-2-5-3-14(11(24)13-9(5)17)10-8(16)7(15)6(22-10)4-21-23(18,19)20/h3,6-8,10,12,15-16H,2,4H2,1H3,(H,13,17,24)(H2,18,19,20)/p-2/t6-,7-,8-,10-/m1/s1,XVMUQEWBDMCWEX-FDDDBJFASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,78,,,True,True,True,True,True,,,None,None
110,5-methylaminomethyl-2-thiouridine,mnm5s2U,2000002511U,nucleoside,Uridine,S,3036488,CNCc1c[n]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O,Natural,C11H17N3O5S,303.0889,303.335,304.0967,,,,172/255/273/141,False,False,False,,-1.3723,151.83,20,not applicable,8,5,InChI=1S/C11H17N3O5S/c1-12-2-5-3-14(11(20)13-9(5)18)10-8(17)7(16)6(4-15)19-10/h3,6-8,10,12,15-17H,2,4H2,1H3,(H,13,18,20)/t6-,7-,8-,10-/m1/s1,HXVKEKIORVUWDR-FDDDBJFASA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,methyl group,other,tRNA,Eubacteria,Eukaryota,,,,402,,True,True,True,True,True,HMDB0011610,,No,Yes
402,5-methylaminomethyl-2-thiouridine-5'-monophosphate,pmnm5s2U,2002511551U,nucleotide,Uridine,S,None,CNCc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=S)[nH]c1=O,Natural,C11H16N3O8PS,None,381.299,None,,,,,False,False,False,,-0.3789,213.83,24,,11,4,InChI=1S/C11H18N3O8PS/c1-12-2-5-3-14(11(24)13-9(5)17)10-8(16)7(15)6(22-10)4-21-23(18,19)20/h3,6-8,10,12,15-16H,2,4H2,1H3,(H,13,17,24)(H2,18,19,20)/p-2/t6-,7-,8-,10-/m1/s1,LVNQROXSHGRCLA-FDDDBJFASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,110,,,True,True,True,True,True,,,None,None
129,5-methylaminomethyluridine,mnm5U,2000000511U,nucleoside,Uridine,{,None,CNCc1c(=O)[nH]c(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c1,Natural,C11H17N3O6,287.1117,287.269,288.1195,,,,156/239/257/125/209,False,False,False,,-2.7416,136.81,20,not applicable,8,5,InChI=1S/C11H17N3O6/c1-12-2-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h3,6-8,10,12,15-17H,2,4H2,1H3,(H,13,18,19)/t6-,7-,8-,10-/m1/s1,ZXQHKBUIXRFZBV-FDDDBJFASA-N,True,True,True,True,True,True,True,True,True,True,methyl group,other,tRNA,Eubacteria,Eukaryota,,,,297,,True,True,True,True,True,HMDB0000884,,No,Yes
18,5-methylcytidine,m5C,2000000005C,nucleoside,Cytidine,?,92918,Cc1c(N)nc(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c1,Natural,C10H15N3O5,257.1012,257.243,258.109,0,82 (Kellner 2014); 0,84 (Kellner 2014),between U and G (Kellner 2014, Kellner 2014),904,905,906,126,False,False,False,,-1.6734,130.83,18,not applicable,8,4,InChI=1S/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)/t5-,6-,7-,9-/m1/s1,ZAYHVCMSTBRABG-JXOAFFINSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,mRNA,other,pre-tRNA,rRNA,tRNA,Eubacteria,Eukaryota,,,,186,895,True,True,True,True,True,HMDB0000982,HMDB0000982,,No,Yes
186,5-methylcytidine-5'-monophosphate,pm5C,2000005551C,nucleotide,Cytidine,?,None,Cc1c(N)nc(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c1,Natural,C10H14N3O8P,None,335.207,None,,,,,False,False,False,,-0.68,192.83,22,not aplicable,11,3,InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1,NJQONZSFUKNYOY-JXOAFFINSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,18,,,True,True,True,True,True,,5MC,No,Yes
17,5-methyldihydrouridine,m5D,2000000058U,nucleoside,Uridine,ρ,None,CC1C(=O)NC(=O)N([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)C1,Natural,C10H16N2O6,260.1008,260.244,261.1086,,,,129,False,False,False,,-2.12,119.33,18,not applicable,8,4,InChI=1S/C10H16N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h4-7,9,13-15H,2-3H2,1H3,(H,11,16,17)/t4?,5-,6-,7-,9-/m1/s1,BTFXIEGOSDSOGN-KWCDMSRLSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,ring modification,,,,,,364,,True,True,True,True,True,HMDB0000497,,No,Yes
364,5-methyldihydrouridine-5'-monophosphate,pm5D,2000058551U,nucleotide,Uridine,ρ,None,CC1CN([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)NC1=O,Natural,C10H15N2O9P,None,338.208,None,,,,,False,False,False,,-1.1266,181.33,22,,11,3,InChI=1S/C10H17N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h4-7,9,13-14H,2-3H2,1H3,(H,11,15,16)(H2,17,18,19)/p-2/t4?,5-,6-,7-,9-/m1/s1,AHLJXUKJCCSPCJ-KWCDMSRLSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,17,,,True,True,True,True,True,,,None,None
12,5-methyluridine,m5U,2000000005U,nucleoside,Uridine,T,445408,Cc1c(=O)[nH]c(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c1,Natural,C10H14N2O6,258.0852,258.228,259.093,1 (Kellner 2014, Kellner 2014),co-eluting with G (Kellner 2014, Kellner 2014),904,905,906,127,False,False,False,,-2.5435,124.78,18,not applicable,7,4,InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1,DWRXFEITVBNRMK-JXOAFFINSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,tRNA,Archaea,Eubacteria,Eukaryota,,Alternative name is ribosylthymidine.,,194,,True,True,True,True,True,HMDB0000884,,No,Yes
194,5-methyluridine-5'-monophosphate,pm5U,2000005551U,nucleotide,Uridine,T,None,[C@H]1([n]2cc(C)c(=O)nc2=O)[C@H](O)[C@H](O)[C@@H](COP([O-])([O-])=O)O1,Natural,C10H12N2O9P,None,335.184,None,,,,,False,False,False,,-1.0731,169.3,22,not aplicable,10,2,InChI=1S/C10H14N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1,SWDFLKFMJOONJB-JXOAFFINSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,12,,,False,False,False,False,False,,5MU,No,Yes
301,5-nitrocytidine 5'-(dihydrogen phosphate),N5M,,nucleotide,Cytidine,㐯,49867359,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C([N+]([O-])=O)C(N)=NC1=O)(=O)[O-],Unnatural,C9H13N4O10P,None,366.178,None,None,None,,None,False,False,False,,-2.537799999999998,220.5,37,not aplicable,11,3,InChI=1S/C9H13N4O10P/c10-7-3(13(17)18)1-12(9(16)11-7)8-6(15)5(14)4(23-8)2-22-24(19,20)21/h1,4-6,8,14-15H,2H2,(H2,10,11,16)(H2,19,20,21)/p-2/t4-,5-,6-,8-/m1/s1,QPCLJXMRTPOKPG-UAKXSSHOSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,N5M,No,Yes
91,5-taurinomethyl-2-thiouridine,tm5s2U,2000000254U,nucleoside,Uridine,ƕ,None,OC[C@H]1O[C@@H]([n]2cc(CNCCS(O)(=O)=O)c(=O)[nH]c2=S)[C@H](O)[C@@H]1O,Natural,C12H19N3O8S2,397.0614,397.425,398.0692,,,,266,False,False,False,,-1.0335,214.58,25,not applicable,11,6,InChI=1S/C12H19N3O8S2/c16-5-7-8(17)9(18)11(23-7)15-4-6(10(19)14-12(15)24)3-13-1-2-25(20,21)22/h4,7-9,11,13,16-18H,1-3,5H2,(H,14,19,24)(H,20,21,22)/t7-,8-,9-,11-/m1/s1,XMIFBEZRFMTGRL-TURQNECASA-N,True,True,True,True,True,True,True,True,True,True,heavy atom,methyl group,other,tRNA,Eukaryota,,,,403,,True,True,True,True,True,HMDB0011610,,No,Yes
403,5-taurinomethyl-2-thiouridine-5'-monophosphate,ptm5s2U,2000254551U,nucleotide,Uridine,ƕ,None,O=c1[nH]c(=S)[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1CNCCS(=O)(=O)O,Natural,C12H18N3O11PS2,None,475.389,None,,,,,False,False,False,,-0.0401,276.58,29,,14,5,InChI=1S/C12H20N3O11PS2/c16-8-7(5-25-27(19,20)21)26-11(9(8)17)15-4-6(10(18)14-12(15)28)3-13-1-2-29(22,23)24/h4,7-9,11,13,16-17H,1-3,5H2,(H,14,18,28)(H2,19,20,21)(H,22,23,24)/p-2/t7-,8-,9-,11-/m1/s1,WLCZJVIUJKYLMX-TURQNECASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,91,,,True,True,True,True,True,,,None,None
21,5-taurinomethyluridine,tm5U,2000000054U,nucleoside,Uridine,ʭ,None,OC[C@H]1O[C@@H]([n]2cc(CNCCS(O)(=O)=O)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O,Natural,C12H19N3O9S,381.0842,381.359,382.092,,,,250,False,False,False,,-2.4028,199.56,25,not applicable,11,6,InChI=1S/C12H19N3O9S/c16-5-7-8(17)9(18)11(24-7)15-4-6(10(19)14-12(15)20)3-13-1-2-25(21,22)23/h4,7-9,11,13,16-18H,1-3,5H2,(H,14,19,20)(H,21,22,23)/t7-,8-,9-,11-/m1/s1,VJKJOPUEUOTEBX-TURQNECASA-N,True,True,True,True,True,True,True,True,True,True,methyl group,other,tRNA,Eukaryota,,,,404,,True,True,True,True,True,HMDB0011610,,No,Yes
404,5-taurinomethyluridine-5'-monophosphate,ptm5U,2000054551U,nucleotide,Uridine,ʭ,None,O=c1[nH]c(=O)[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1CNCCS(=O)(=O)O,Natural,C12H18N3O12PS,None,459.323,None,,,,,False,False,False,,-1.4094,261.56,29,,14,5,InChI=1S/C12H20N3O12PS/c16-8-7(5-26-28(20,21)22)27-11(9(8)17)15-4-6(10(18)14-12(15)19)3-13-1-2-29(23,24)25/h4,7-9,11,13,16-17H,1-3,5H2,(H,14,18,19)(H2,20,21,22)(H,23,24,25)/p-2/t7-,8-,9-,11-/m1/s1,PZGIUONZFMAONE-TURQNECASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,21,,,True,True,True,True,True,,,None,None
192,6N-dimethyladenosine-5'-monophosphate,pm6,6A,2000066551A,nucleotide,Adenosine,ζ,None,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2N(C)C)(=O)[O-],Natural,C12H16N5O7P,None,373.259,None,None,None,,None,False,False,False,,-0.5028,178.76,25,not aplicable,12,2,InChI=1S/C12H18N5O7P/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,20,21,22)/p-2/t6-,8-,9-,12-/m1/s1,OWRDTHWSVNWFAZ-WOUKDFQISA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,41,,,False,False,True,True,True,,MA6,No,Yes
71,7-aminocarboxypropyl-demethylwyosine,yW-86,2000000047C,nucleoside,Guanosine,¥,None,Cc1nc2[nH]c3c(c(=O)[n]2c1CCC(N)C(O)=O)nc[n]3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C17H22N6O7,422.155,422.393,423.1628,,,,291,False,False,False,,-1.663,201.22,30,not applicable,12,6,InChI=1S/C17H22N6O7/c1-6-8(3-2-7(18)16(28)29)23-14(27)10-13(21-17(23)20-6)22(5-19-10)15-12(26)11(25)9(4-24)30-15/h5,7,9,11-12,15,24-26H,2-4,18H2,1H3,(H,20,21)(H,28,29)/t7?,9-,11-,12-,15-/m1/s1,LJPGDRLVCXGOBU-MEUKVILTSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,ring modification,,Archaea,Eukaryota,,,,405,,True,True,True,True,True,HMDB0000195,,No,Yes
405,7-aminocarboxypropyl-demethylwyosine-5'-monophosphate,pyW-86,2000047551G,nucleotide,Guanosine,¥,None,Cc1nc2[nH]c3c(c(=O)[n]2c1CCC(N)C(=O)O)nc[n]3[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C17H21N6O10P,None,500.357,None,,,,,False,False,False,,-0.6696,263.22,34,,15,5,InChI=1S/C17H23N6O10P/c1-6-8(3-2-7(18)16(27)28)23-14(26)10-13(21-17(23)20-6)22(5-19-10)15-12(25)11(24)9(33-15)4-32-34(29,30)31/h5,7,9,11-12,15,24-25H,2-4,18H2,1H3,(H,20,21)(H,27,28)(H2,29,30,31)/p-2/t7?,9-,11-,12-,15-/m1/s1,MOCJJJAHSBGNFS-MEUKVILTSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,71,,,True,True,True,True,True,,,None,None
77,7-aminocarboxypropylwyosine,yW-72,2000000347G,nucleoside,Guanosine,Ω,None,C[n]1c2c(nc[n]2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n]2c1nc(C)c2CCC(N)C(O)=O,Natural,C18H24N6O7,436.1706,436.419,437.1784,,,,305,False,False,False,,-1.6526,190.36,31,not applicable,13,5,InChI=1S/C18H24N6O7/c1-7-9(4-3-8(19)17(29)30)24-15(28)11-14(22(2)18(24)21-7)23(6-20-11)16-13(27)12(26)10(5-25)31-16/h6,8,10,12-13,16,25-27H,3-5,19H2,1-2H3,(H,29,30)/t8?,10-,12-,13-,16-/m1/s1,WFCOGXPRDSFHPT-PQNMNNSOSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,methyl group,ring modification,,Eukaryota,,,,406,,True,True,True,True,True,HMDB0039126,,No,Yes
112,7-aminocarboxypropylwyosine methyl ester,yW-58,2000000348G,nucleoside,Guanosine,⇑,None,C[n]1c2nc(C)c(CCC(N)C(OC)=O)[n]2c(=O)c2nc[n]([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12,Natural,C19H26N6O7,450.1863,450.446,451.1941,,,,319,False,False,False,,-1.5642,179.36,32,not applicable,13,4,InChI=1S/C19H26N6O7/c1-8-10(5-4-9(20)18(30)31-3)25-16(29)12-15(23(2)19(25)22-8)24(7-21-12)17-14(28)13(27)11(6-26)32-17/h7,9,11,13-14,17,26-28H,4-6,20H2,1-3H3/t9?,11-,13-,14-,17-/m1/s1,DWNWSFBFONCDIA-WEIZVDCKSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,methyl group,other,ring modification,,Eukaryota,,,,407,,True,True,True,True,True,HMDB0039126,,No,Yes
407,7-aminocarboxypropylwyosine methyl ester-5'-monophosphate,pyW-58,2000348551G,nucleotide,Guanosine,⇑,None,COC(=O)C(N)CCc1c(C)nc2[n](C)c3c(c(=O)[n]12)nc[n]3[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C19H25N6O10P,None,528.41,None,,,,,False,False,False,,-0.5708,241.36,36,,16,3,InChI=1S/C19H27N6O10P/c1-8-10(5-4-9(20)18(29)33-3)25-16(28)12-15(23(2)19(25)22-8)24(7-21-12)17-14(27)13(26)11(35-17)6-34-36(30,31)32/h7,9,11,13-14,17,26-27H,4-6,20H2,1-3H3,(H2,30,31,32)/p-2/t9?,11-,13-,14-,17-/m1/s1,WIEBWZUDVIPWHZ-WEIZVDCKSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,112,,,True,True,True,True,True,,,None,None
406,7-aminocarboxypropylwyosine-5'-monophosphate,pyW-72,2000347551G,nucleotide,Guanosine,Ω,None,Cc1nc2[n](C)c3c(c(=O)[n]2c1CCC(N)C(=O)O)nc[n]3[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C18H23N6O10P,None,514.383,None,,,,,False,False,False,,-0.6592,252.36,35,,16,4,InChI=1S/C18H25N6O10P/c1-7-9(4-3-8(19)17(28)29)24-15(27)11-14(22(2)18(24)21-7)23(6-20-11)16-13(26)12(25)10(34-16)5-33-35(30,31)32/h6,8,10,12-13,16,25-26H,3-5,19H2,1-2H3,(H,28,29)(H2,30,31,32)/p-2/t8?,10-,12-,13-,16-/m1/s1,LNONFHBJTNDIBK-PQNMNNSOSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,77,,,True,True,True,True,True,,,None,None
61,7-aminomethyl-7-carbaguanine,preQ1base,2000101000G,base,Guanosine,∇,None,Nc1[nH]c(=O)c2c([nH]cc2CN)n1,Natural,C7H9N5O,179.0807,179.179,None,,,,,False,False,False,,0.5736,113.58,13,not applicable,4,4,InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13),MEYMBLGOKYDGLZ-UHFFFAOYSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,other,,Eubacteria,,,123,,,True,True,True,True,True,HMDB0011690,HMDB0011690,,No,Yes
123,7-aminomethyl-7-deazaguanosine,preQ1,2000000101G,nucleoside,Guanosine,∉,None,Nc1[nH]c(=O)c2c(CN)c[n]([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,Natural,C12H17N5O5,311.123,311.294,312.1308,,,,180,False,False,False,,-1.3415,172.64,22,not applicable,9,6,InChI=1S/C12H17N5O5/c13-1-4-2-17(9-6(4)10(21)16-12(14)15-9)11-8(20)7(19)5(3-18)22-11/h2,5,7-8,11,18-20H,1,3,13H2,(H3,14,15,16,21)/t5-,7-,8-,11-/m1/s1,SOEYIPCQNRSIAV-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,other,tRNA,Eubacteria,,,,408,,True,True,True,True,True,HMDB0011596,,No,Yes
408,7-aminomethyl-7-deazaguanosine-5'-monophosphate,ppreQ1,2000101551G,nucleotide,Guanosine,∉,None,NCc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12,Natural,C12H16N5O8P,None,389.258,None,,,,,False,False,False,,-0.3481,234.64,26,,12,5,InChI=1S/C12H18N5O8P/c13-1-4-2-17(9-6(4)10(20)16-12(14)15-9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h2,5,7-8,11,18-19H,1,3,13H2,(H2,21,22,23)(H3,14,15,16,20)/p-2/t5-,7-,8-,11-/m1/s1,GIQSPNMTDJCDKB-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,123,,,True,True,True,True,True,,,None,None
95,7-cyano-7-carbaguanine,preQ0base,200100000G,base,Guanosine,ψ,None,Nc1[nH]c(=O)c2c(c[nH]c2n1)C#N,Natural,C7H5N5O,175.0494,175.148,None,,,,,False,False,False,,0.28628,111.35,13,not applicable,4,3,InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13),FMKSMYDYKXQYRV-UHFFFAOYSA-N,True,True,True,True,True,True,True,True,True,True,,,Archaea,Eubacteria,,,120,,,True,True,True,True,True,HMDB0011690,,No,Yes
120,7-cyano-7-deazaguanosine,preQ0,2000000100G,nucleoside,Guanosine,φ,None,Nc1[nH]c(=O)c2c(c[n]([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)C#N,Natural,C12H13N5O5,307.0917,307.262,308.0995,,,,176,False,False,False,,-1.62882,170.41,22,not applicable,9,5,InChI=1S/C12H13N5O5/c13-1-4-2-17(9-6(4)10(21)16-12(14)15-9)11-8(20)7(19)5(3-18)22-11/h2,5,7-8,11,18-20H,3H2,(H3,14,15,16,21)/t5-,7-,8-,11-/m1/s1,BIRQNXWAXWLATA-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,other,,Archaea,,,,409,,True,True,True,True,True,HMDB0011596,,No,Yes
409,7-cyano-7-deazaguanosine-5'-monophosphate,ppreQ0,2000100551G,nucleotide,Guanosine,φ,None,N#Cc1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12,Natural,C12H12N5O8P,None,385.226,None,,,,,False,False,False,,-0.63542,232.41,26,,12,4,InChI=1S/C12H14N5O8P/c13-1-4-2-17(9-6(4)10(20)16-12(14)15-9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h2,5,7-8,11,18-19H,3H2,(H2,21,22,23)(H3,14,15,16,20)/p-2/t5-,7-,8-,11-/m1/s1,AHGYTEXIRSSWAX-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,120,,,True,True,True,True,True,,,None,None
116,7-methylguanosine,m7G,2000000007G,nucleoside,Guanosine,7,None,[C@@H]1([n]2c[n+](C)c3c2nc(nc3=O)N)O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C11H15N5O5+,299.123,297.267,298.1151,0,83 (Kellner 2014); 0,89 (Kellner 2014),between U and G (Kellner 2014, Kellner 2014),904,905,906,166,False,False,False,,-4.3348,143.98,21,not applicable,9,4,InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,20)/q+1/t4-,6-,7-,10-/m1/s1,URCXGZVBPWZNMN-KQYNXXCUSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,tRNA,Eubacteria,Eukaryota,,m7G has a positive charge at neutral pH.,,203,,True,True,True,True,True,HMDB0001107,MG7,No,Yes
203,7N-methyl-8-hydroguanosine-5'-monophosphate,pm7G,2000007551G,nucleotide,Guanosine,7,None,C[n+]1c2c(nc(nc2=O)N)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c1,Natural,C11H14N5O8P,None,375.231,None,,,,,False,False,False,,-2.1424,196.18,25,not aplicable,11,3,InChI=1S/C11H15N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H3-,12,13,19,20,21,22)/p-1/t4-,6-,7-,10-/m1/s1,FQJGFYBYRYRCMP-KQYNXXCUSA-M,True,True,True,True,True,True,True,True,True,True,,,,,,116,,,False,False,False,False,False,,7MG,G7M,No,Yes
329,8-aza-nebularine-5'-monophosphate,8AZ,,nucleotide,Unknown,㐘,137348696,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c2c([C@@H](O)NC=N2)[n][n]1)(=O)[O-],Unnatural,C9H14N5O8P,None,349.194,None,,,,,False,False,False,,-2.7395,191.78,37,not aplicable,13,4,InChI=1S/C9H14N5O8P/c15-5-3(1-21-23(18,19)20)22-9(6(5)16)14-7-4(12-13-14)8(17)11-2-10-7/h2-3,5-6,8-9,15-17H,1H2,(H,10,11)(H2,18,19,20)/p-2/t3-,5-,6-,8-,9-/m1/s1,SBZIEWBNPJQPBV-TWZMMTIKSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,8AZ,No,Yes
222,8-bromo-2'-deoxyguanosine-5'-monophosphate,BGM,,nucleotide,Guanosine,㐉,136265948,[O-]P(OC[C@H]1O[C@@H]([n]2c(Br)[n]c3C(NC(N)=Nc23)=O)C[C@@H]1O)(=O)[O-],Unnatural,C10H13BrN5O7P,None,423.093,None,,,,,False,False,False,,-0.778,185.81,37,not aplicable,12,2,InChI=1S/C10H13BrN5O7P/c11-9-13-6-7(14-10(12)15-8(6)18)16(9)5-1-3(17)4(23-5)2-22-24(19,20)21/h3-5,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/p-2/t3-,4+,5+/m0/s1,KUFMHNJQBUZBPA-VPENINKCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,BGM,Yes,Yes
249,8-bromoguanosine 5'-(dihydrogen phosphate),GRB,,nucleotide,Guanosine,㐸,135399758,[O-]P(OC[C@H]1O[C@@H]([n]2c(Br)[n]c3C(NC(N)=Nc23)=O)[C@H](O)[C@@H]1O)(=O)[O-],Unnatural,C10H13BrN5O8P,None,439.093,None,None,None,,None,False,False,False,,-1.8072000000000004,206.04,38,not aplicable,13,3,InChI=1S/C10H13BrN5O8P/c11-9-13-3-6(14-10(12)15-7(3)19)16(9)8-5(18)4(17)2(24-8)1-23-25(20,21)22/h2,4-5,8,17-18H,1H2,(H2,20,21,22)(H3,12,14,15,19)/p-2/t2-,4-,5-,8-/m1/s1,SJLDUTNIPDQOCZ-UMMCILCDSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,GRB,No,Yes
131,8-methyladenosine,m8A,2000000008A,nucleoside,Adenosine,â,None,Cc1nc2c(N)ncnc2[n]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C11H15N5O4,281.1124,281.268,282.1202,,,,150,False,False,False,,-1.0904,139.54,20,not applicable,9,4,InChI=1S/C11H15N5O4/c1-4-15-6-9(12)13-3-14-10(6)16(4)11-8(19)7(18)5(2-17)20-11/h3,5,7-8,11,17-19H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1,RTGYRFMTJZYXPD-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,Eubacteria,,<p>
The methyltransferase Cfr making m8A, has only been found in
 <i>Staphylococcus sciuri</i> so far, but it has been investigated in <i>E. coli</i> by expression
 of Cfr from a plasmid coded gene. It methylates A2503 in <i>E. coli</i> 23S RNA to m8A.
</p><p>
Also see: <i>
Identification of 8-methyladenosine as the modification catalyzed by the
 radical SAM methyltransferase Cfr that confers antibiotic resistance in
 bacteria. Giessing AM, Jensen SS, Rasmussen A, Hansen LH, Gondela A, Long K, Vester B,
 Kirpekar F.    RNA. 2009 Feb;15(2):327-36.<br>
 PMID: 19144912
</i>,,410,,True,True,True,True,True,HMDB0000050,,No,Yes
410,8-methyladenosine-5'-monophosphate,pm8A,2000008551A,nucleotide,Adenosine,â,None,Cc1nc2c(N)ncnc2[n]1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C11H14N5O7P,None,359.232,None,,,,,False,False,False,,-0.097,201.54,24,,12,3,InChI=1S/C11H16N5O7P/c1-4-15-6-9(12)13-3-14-10(6)16(4)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)(H2,19,20,21)/p-2/t5-,7-,8-,11-/m1/s1,JWZROMVIBJLGRQ-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,131,,,True,True,True,True,True,,,None,None
316,9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine,A5L,,nucleotide,Adenosine,㐁,None,[O-]P(OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2N)(=O)[O-],Unnatural,C10H11FN5O6P,None,347.196,None,,,,,False,False,False,,0.5718,181.31,23,not aplicable,11,2,InChI=1S/C10H13FN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/p-2/t4-,5+,7-,10-/m1/s1,WMEBOUQKZKATDW-GQTRHBFLSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,A5L,Yes,Yes
292,9-beta-D-ribofuranosyl-9H-purin-2-amine,MTU,,nucleotide,Unknown,㐙,49867336,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c(N)[n]c2)(=O)[O-],Unnatural,C10H14N5O7P,None,345.205,None,,,,,False,False,False,,-1.863,186.07,37,not aplicable,12,3,InChI=1S/C10H14N5O7P/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(17)6(16)5(22-9)2-21-23(18,19)20/h1,3,5-7,9,16-17H,2H2,(H2,11,12,14)(H2,18,19,20)/p-2/t5-,6-,7-,9-/m1/s1,ZBZOSANSUPOJNF-JXOAFFINSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,MTU,No,Yes
327,D-ribofuranosyl-benzene-5'-monophosphate,PYY,,nucleotide,Unknown,㐥,49867551,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1ccccc1)(=O)[O-],Unnatural,C11H15O7P,None,288.19,None,,,,,False,False,False,,-0.0424,116.45000000000002,34,not aplicable,7,2,InChI=1S/C11H15O7P/c12-9-8(6-17-19(14,15)16)18-11(10(9)13)7-4-2-1-3-5-7/h1-5,8-13H,6H2,(H2,14,15,16)/p-2/t8-,9-,10-,11+/m1/s1,UQFRVRKERMOLHL-DBIOUOCHSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,False,True,True,True,,PYY,No,Yes
204,N(1)-methyladenosine 5'-monophosphate,pm1A,2000001551A,nucleotide,Adenosine,Ѣ,None,C[n]1c(=N)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O3)cn2)nc1,Natural,C11H14N5O7P,None,359.232,None,,,,,False,False,False,,-1.0461,191.41,24,not aplicable,12,3,InChI=1S/C11H16N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/p-2/t5-,7-,8-,11-/m1/s1,BKBYKEWNXKDACS-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,83,,,False,False,True,True,True,,1MA,No,Yes
200,N(4)-acetylcytidine-5'-monophosphate,pac4C,2000042551C,nucleotide,Cytidine,M,None,CC(Nc1nc(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1)=O,Natural,C11H14N3O9P,None,363.217,None,,,,,False,False,False,,-1.1204,195.91,24,not aplicable,12,3,InChI=1S/C11H16N3O9P/c1-5(15)12-7-2-3-14(11(18)13-7)10-9(17)8(16)6(23-10)4-22-24(19,20)21/h2-3,6,8-10,16-17H,4H2,1H3,(H2,19,20,21)(H,12,13,15,18)/p-2/t6-,8-,9-,10-/m1/s1,ZVZPSHDOUJPFEV-PEBGCTIMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,81,,,True,True,True,True,True,,4AC,No,Yes
457,N-(2,2-dimethoxyethyl)-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphonamidicacid,MU4,4000045551U,nucleotide,Uridine,佨,None,COC(CNP(=O)(O)OC[C@H]2O[C@H](n1cc(C)c(=O)[nH]c1=O)C[C@@H]2O)OC,Unnatural,C14H24N3O9P,None,None,None,,,,,False,False,False,,None,None,None,,None,None,InChI=1S/C14H24N3O9P/c1-8-6-17(14(20)16-13(8)19)11-4-9(18)10(26-11)7-25-27(21,22)15-5-12(23-2)24-3/h6,9-12,18H,4-5,7H2,1-3H3,(H2,15,21,22)(H,16,19,20)/t9-,10+,11-/m0/s1,JVEIUPWDXCPJRK-AXFHLTTASA-N,True,True,True,True,True,True,True,True,True,False,,,,,,,,,True,False,True,True,True,,,No,Yes
285,N1-deaza-adenosine-5'-monophosphate,1DP,,nucleotide,Unknown,㐚,49866418,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c2c([n]c1)c(N)cc[n]2)(=O)[O-],Unnatural,C11H15N4O7P,None,344.217,None,None,None,,None,False,False,False,,-1.258,173.17999999999998,38,not aplicable,11,3,InChI=1S/C11H15N4O7P/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(17)8(16)6(22-11)3-21-23(18,19)20/h1-2,4,6,8-9,11,16-17H,3H2,(H2,12,13)(H2,18,19,20)/p-2/t6-,8-,9-,11-/m1/s1,MKNCBTMEOTYSIQ-PNHWDRBUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,1DP,No,Yes
295,N1-protonated adenosine-5'-monophosphate,AP7,,nucleotide,Adenosine,㐛,49866637,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c[nH+]c2N)(=O)[O-],Unnatural,C10H15N5O7P+,None,346.213,None,None,None,,None,False,False,False,,-2.443899999999999,187.32,38,not aplicable,11,4,InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-1/t4-,6-,7-,10-/m1/s1,UDMBCSSLTHHNCD-KQYNXXCUSA-M,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,AP7,No,Yes
102,N2,2'-O-dimethylguanosine,m2Gm,2000000902G,nucleoside,Guanosine,γ,None,CO[C@H]1[C@H]([n]2cnc3c2nc([nH]c3=O)NC)O[C@H](CO)[C@H]1O,Natural,C12H17N5O5,311.123,311.294,312.1308,,,,166,False,False,False,,-1.5001,134.52,22,not applicable,9,4,InChI=1S/C12H17N5O5/c1-13-12-15-9-6(10(20)16-12)14-4-17(9)11-8(21-2)7(19)5(3-18)22-11/h4-5,7-8,11,18-19H,3H2,1-2H3,(H2,13,15,16,20)/t5-,7-,8-,11-/m1/s1,OJTAZBNWKTYVFJ-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,,,,,,428,,True,True,True,True,True,HMDB0004824,,No,Yes
428,N2,2'-O-dimethylguanosine-5'-monophospate,pm2Gm,2000902551G,nucleotide,Guanosine,γ,None,CNc1nc2c(nc[n]2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2OC)c(=O)[nH]1,Natural,C12H16N5O8P,None,389.258,None,,,,,False,False,False,,-0.5067,196.52,26,,12,3,InChI=1S/C12H18N5O8P/c1-13-12-15-9-6(10(19)16-12)14-4-17(9)11-8(23-2)7(18)5(25-11)3-24-26(20,21)22/h4-5,7-8,11,18H,3H2,1-2H3,(H2,20,21,22)(H2,13,15,16,19)/p-2/t5-,7-,8-,11-/m1/s1,GAUYHPUBYRNYOA-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,102,,,True,True,True,True,True,,,None,None
142,N2,7,2'-O-trimethylguanosine,m2,7Gm,2000009027G,nucleoside,Guanosine,æ,None,[C@H]1([n]2c[n+](C)c3c2nc(nc3=O)NC)[C@H](OC)[C@H](O)[C@@H](CO)O1,Natural,C13H19N5O5+,327.1543,325.32,326.1464,,,,180,False,False,False,,-3.7294,118.99,23,not applicable,9,3,InChI=1S/C13H19N5O5/c1-14-13-15-10-7(11(21)16-13)17(2)5-18(10)12-9(22-3)8(20)6(4-19)23-12/h5-6,8-9,12,19-20H,4H2,1-3H3,(H,14,16,21)/q+1/t6-,8-,9-,12-/m1/s1,IYQVTHGBLCSIJK-WOUKDFQISA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,methyl group,,,,,,442,809,True,True,True,True,True,HMDB0004824,,No,Yes
442,N2,7,2'-O-trimethylguanosine-5'-monophosphate,pm2,7Gm,2009027551G,nucleotide,Guanosine,∨,None,CNc1nc(=O)c2c([n]([C@H]3[C@H](OC)[C@H](O)[C@@H](COP(=O)([O-])[O-])O3)c[n+]2C)n1,Natural,C13H18N5O8P,None,403.284,None,,,,,False,False,False,,-1.537,171.19,27,,11,2,InChI=1S/C13H19N5O8P/c1-14-13-15-10-7(11(20)16-13)17(2)5-18(10)12-9(24-3)8(19)6(26-12)4-25-27(21,22)23/h5-6,8-9,12,19H,4H2,1-3H3,(H2-,14,15,20,21,22,23)/p-1/t6-,8-,9-,12-/m1/s1,CUFSVYCWIRZTFJ-WOUKDFQISA-M,True,True,True,True,True,True,True,True,True,True,,,,,,142,,,False,False,False,False,False,,,No,Yes
4,N2,7-dimethylguanosine,m2,7G,2000000027G,nucleoside,Guanosine,∨,None,CNc1nc(=O)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)c[n+]2C)n1,Natural,C12H17N5O5+,313.1386,311.294,312.1308,,,,180,False,False,False,,-3.1845,120.19,22,not applicable,8,4,InChI=1S/C12H16N5O5/c1-13-12-14-9-6(10(21)15-12)16(2)4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3/p+1/t5-,7-,8-,11-/m1/s1,ARUUFQJJQOORBU-IOSLPCCCSA-O,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,,Eukaryota,,,,440,,True,True,True,True,True,HMDB0004824,,No,Yes
133,N2,7-dimethylguanosine cap (cap DMG),m2,7GpppN,2000279553N,nucleotide,Adenosine, Uridine, Cytidine, Guanosine,®,None,CNc1nc(=O)c2c([n](c[n+]2C)[C@@H]2O[C@H](COP([O-])(OP([O-])(OP([O-])(OC[C@H]3O[C@@H]%91[C@H](O)[C@@H]3O)=O)=O)=O)[C@@H](O)[C@H]2O)[nH]1.[*]%91,Natural,C17H25N5O17P3,469.04,664.325,None,None,None,,None,False,False,False,,-1.6189,352.71,43,unspecified residue,20,6,,,True,True,True,True,True,True,True,True,True,True,methyl group,,Eukaryota,,As with the m7G cap, the m2,7G cap is indistinguishable from any other m7m2G apart from the triester linkage linking it to the rest of the RNA chain, and I'm putting it here separately just for orderliness purpose.,,,,True,True,True,True,True,HMDB0001273,,No,Yes
440,N2,7-dimethylguanosine-5'-monophosphate,pm2,7G,2000004553N,nucleotide,Guanosine,æ,None,CNc1nc(=O)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O3)c[n+]2C)n1,Natural,C12H16N5O8P,None,389.258,None,,,,,False,False,False,,-2.1911,182.19,26,,11,3,InChI=1S/C12H17N5O8P/c1-13-12-14-9-6(10(20)15-12)16(2)4-17(9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h4-5,7-8,11,18-19H,3H2,1-2H3,(H2-,13,14,20,21,22,23)/p-1/t5-,7-,8-,11-/m1/s1,RYILYDCFUNXPKO-IOSLPCCCSA-M,True,True,True,True,True,True,True,True,True,True,,,,,,4,,,False,False,False,False,False,,,None,None
40,N2,N2,2'-O-trimethylguanosine,m2,2Gm,2000009022G,nucleoside,Guanosine,|,None,CN(C)c1[nH]c(=O)c2nc[n]([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3OC)c2n1,Natural,C13H19N5O5,325.1386,325.32,326.1464,,,,180,False,False,False,,-1.5488,125.73,23,not applicable,9,3,InChI=1S/C13H19N5O5/c1-17(2)13-15-10-7(11(21)16-13)14-5-18(10)12-9(22-3)8(20)6(4-19)23-12/h5-6,8-9,12,19-20H,4H2,1-3H3,(H,15,16,21)/t6-,8-,9-,12-/m1/s1,YUCFXTKBZFABID-WOUKDFQISA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,methyl group,,,,,,429,,True,True,True,True,True,HMDB0004824,,No,Yes
429,N2,N2,2'-O-trimethylguanosine-5'-monophospate,pm2,2Gm,2009022551G,nucleotide,Guanosine,|,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1cnc2c(=O)[nH]c(N(C)C)nc12,Natural,C13H18N5O8P,None,403.284,None,,,,,False,False,False,,-0.5554,187.73,27,,12,2,InChI=1S/C13H20N5O8P/c1-17(2)13-15-10-7(11(20)16-13)14-5-18(10)12-9(24-3)8(19)6(26-12)4-25-27(21,22)23/h5-6,8-9,12,19H,4H2,1-3H3,(H,15,16,20)(H2,21,22,23)/p-2/t6-,8-,9-,12-/m1/s1,QQWZOYVRWAGZJF-WOUKDFQISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,40,,,True,True,True,True,True,,,None,None
111,N2,N2,7-trimethylguanosine,m2,2,7G,2000000227G,nucleoside,Guanosine,∠,None,CN(c1nc(=O)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)c[n+]2C)n1)C,Natural,C13H19N5O5+,327.1543,325.32,326.1464,,,,194,False,False,False,,-3.2332,111.4,23,not applicable,8,3,InChI=1S/C13H19N5O5/c1-16(2)13-14-10-7(11(22)15-13)17(3)5-18(10)12-9(21)8(20)6(4-19)23-12/h5-6,8-9,12,19-21H,4H2,1-3H3/q+1/t6-,8-,9-,12-/m1/s1,FSGADFNJLKLRNQ-WOUKDFQISA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,methyl group,,Eukaryota,,,,441,,True,True,True,True,True,HMDB0004824,,No,Yes
134,N2,N2,7-trimethylguanosine cap (cap TMG),m2,2,7GpppN,2002279553N,nucleotide,Adenosine, Uridine, Cytidine, Guanosine,¶,None,CN(C)c1nc(=O)c2c([n](c[n+]2C)[C@@H]2O[C@H](COP([O-])(OP([O-])(OP([O-])(OC[C@H]3O[C@@H]%91[C@H](O)[C@@H]3O)=O)=O)=O)[C@@H](O)[C@H]2O)[nH]1.[*]%91,Natural,C18H27N5O17P3,483.0556,678.352,None,None,None,,None,False,False,False,,-1.6676,343.92,44,unspecified residue,20,5,,,True,True,True,True,True,True,True,True,True,True,methyl group,snRNA,snoRNA,Eukaryota,,m2,2,7G cap is joined to the main chain via a 5'-5' linkage.  Apart from sn- and snoRNAs it was found is some human selenoprotein mRNAs.,,,,True,True,True,True,True,HMDB0001273,,No,Yes
441,N2,N2,7-trimethylguanosine-5'-monophosphate,pm2,2,7G,2000227551G,nucleotide,Guanosine,∠,None,CN(c1nc(=O)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O3)c[n+]2C)n1)C,Natural,C13H18N5O8P,None,403.284,None,,,,,False,False,False,,-2.2398,173.4,27,,11,2,InChI=1S/C13H19N5O8P/c1-16(2)13-14-10-7(11(21)15-13)17(3)5-18(10)12-9(20)8(19)6(26-12)4-25-27(22,23)24/h5-6,8-9,12,19-20H,4H2,1-3H3,(H-,22,23,24)/p-1/t6-,8-,9-,12-/m1/s1,WUBZWWORDQLTEC-WOUKDFQISA-M,True,True,True,True,True,True,True,True,True,True,,,,,,111,,,False,False,False,False,False,,,None,None
13,N2,N2-dimethylguanosine,m2,2G,2000000022G,nucleoside,Guanosine,R,601633,CN(C)c1[nH]c(=O)c2nc[n]([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,Natural,C12H17N5O5,311.123,311.294,312.1308,1,62 (Kellner 2014),between A and m6A (Kellner 2014),904,905,180,False,False,False,,-2.2029,136.73,22,not applicable,9,4,InChI=1S/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21)/t5-,7-,8-,11-/m1/s1,RSPURTUNRHNVGF-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,rRNA,tRNA,Archaea,Eubacteria,Eukaryota,,,,198,,True,True,True,True,True,HMDB0004824,,No,Yes
198,N2-dimethylguanosine-5'-monophosphate,pm2,2G,2000022551G,nucleotide,Guanosine,R,None,CN(C)c1nc2c(nc[n]2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1,Natural,C12H16N5O8P,None,389.258,None,,,,,False,False,False,,-1.2095,198.73,26,not aplicable,12,3,InChI=1S/C12H18N5O8P/c1-16(2)12-14-9-6(10(20)15-12)13-4-17(9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h4-5,7-8,11,18-19H,3H2,1-2H3,(H,14,15,20)(H2,21,22,23)/p-2/t5-,7-,8-,11-/m1/s1,IWJFVRMOIKWYNZ-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,13,,,True,True,True,True,True,,M2G,No,Yes
36,N2-methylguanosine,m2G,2000000002G,nucleoside,Guanosine,L,3035422,CNc1[nH]c(=O)c2nc[n]([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,Natural,C11H15N5O5,297.1073,297.267,298.1151,,,,166,False,False,False,,-2.1542,145.52,21,not applicable,9,5,InChI=1S/C11H15N5O5/c1-12-11-14-8-5(9(20)15-11)13-3-16(8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15,20)/t4-,6-,7-,10-/m1/s1,SLEHROROQDYRAW-KQYNXXCUSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,snRNA,tRNA,Archaea,Eubacteria,Eukaryota,,,,191,,True,True,True,True,True,HMDB0004824,,No,Yes
291,N3-protonated cytidine-5'-monophosphate,CH,,nucleotide,Cytidine,㐰,49822695,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[N+]1=CC=C(N)NC1=O)(=O)[O-],Unnatural,C9H15N3O8P+,None,321.181,None,None,None,,None,False,False,False,,-3.0268999999999986,179.21,36,not aplicable,11,3,InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H4,10,11,15,16,17,18)/p-1/t4-,6-,7-,8-/m1/s1,ULTJSGLMABORQB-XVFCMESISA-M,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,CH,No,Yes
39,N4,2'-O-dimethylcytidine,m4Cm,2000000904C,nucleoside,Cytidine,λ,None,CO[C@H]1[C@H]([n]2ccc(NC)nc2=O)O[C@H](CO)[C@H]1O,Natural,C11H17N3O5,271.1168,271.27,272.1246,1,20 (Kellner 2014),between G and A (Kellner 2014),904,126,False,False,False,,-1.3764,105.84,19,not applicable,8,3,InChI=1S/C11H17N3O5/c1-12-7-3-4-14(11(17)13-7)10-9(18-2)8(16)6(5-15)19-10/h3-4,6,8-10,15-16H,5H2,1-2H3,(H,12,13,17)/t6-,8-,9-,10-/m1/s1,BNXGRQLXOMSOMV-PEBGCTIMSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,rRNA,Eubacteria,,,,208,,True,True,True,True,True,HMDB0000089,,No,Yes
69,N4,N4,2'-O-trimethylcytidine,m4,4Cm,2000009044C,nucleoside,Cytidine,β,None,CO[C@H]1[C@H]([n]2c(=O)nc(N(C)C)cc2)O[C@H](CO)[C@H]1O,Natural,C12H19N3O5,285.1325,285.296,286.1403,,,,140,False,False,False,,-1.4251,97.05,20,not applicable,8,2,InChI=1S/C12H19N3O5/c1-14(2)8-4-5-15(12(18)13-8)11-10(19-3)9(17)7(6-16)20-11/h4-5,7,9-11,16-17H,6H2,1-3H3/t7-,9-,10-,11-/m1/s1,WFCJCYSSTXNUED-QCNRFFRDSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,methyl group,,Eubacteria,,,,427,,True,True,True,True,True,HMDB0000089,,No,Yes
427,N4,N4,2'-O-trimethylcytidine-5'-monophospate,pm4,4Cm,2009044551C,nucleotide,Cytidine,β,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1ccc(N(C)C)nc1=O,Natural,C12H18N3O8P,None,363.26,None,,,,,False,False,False,,-0.4317,159.05,24,,11,1,InChI=1S/C12H20N3O8P/c1-14(2)8-4-5-15(12(17)13-8)11-10(21-3)9(16)7(23-11)6-22-24(18,19)20/h4-5,7,9-11,16H,6H2,1-3H3,(H2,18,19,20)/p-2/t7-,9-,10-,11-/m1/s1,WUGPGLLSCJHQHT-QCNRFFRDSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,69,,,True,True,True,True,True,,,None,None
15,N4,N4-dimethylcytidine,m4,4C,2000000044C,nucleoside,Cytidine,μ,3082389,CN(c1nc(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)cc1)C,Natural,C11H17N3O5,271.1168,271.27,272.1246,,,,140,False,False,False,,-2.0792,108.05,19,not applicable,8,3,InChI=1S/C11H17N3O5/c1-13(2)7-3-4-14(11(18)12-7)10-9(17)8(16)6(5-15)19-10/h3-4,6,8-10,15-17H,5H2,1-2H3/t6-,8-,9-,10-/m1/s1,GFCDNWCHLZESES-PEBGCTIMSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,,Eubacteria,,,,250,,True,True,True,True,True,HMDB0000089,,No,Yes
106,N4-acetyl-2'-O-methylcytidine,ac4Cm,2000009042C,nucleoside,Cytidine,ℵ,None,CO[C@H]1[C@H]([n]2c(=O)nc(NC(=O)C)cc2)O[C@H](CO)[C@H]1O,Natural,C12H17N3O6,299.1117,299.28,300.1195,,,,154/112,False,False,False,,-1.4597,122.91,21,not applicable,9,3,InChI=1S/C12H17N3O6/c1-6(17)13-8-3-4-15(12(19)14-8)11-10(20-2)9(18)7(5-16)21-11/h3-4,7,9-11,16,18H,5H2,1-2H3,(H,13,14,17,19)/t7-,9-,10-,11-/m1/s1,CYDFBLGNJUNSCC-QCNRFFRDSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,other,,,,,,257,,True,True,True,True,True,HMDB0005923,,No,Yes
81,N4-acetylcytidine,ac4C,2000000042C,nucleoside,Cytidine,M,None,CC(Nc1nc(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)cc1)=O,Natural,C11H15N3O6,285.0961,285.253,286.1039,1,35 (Kellner 2014),between G and A (Kellner 2014),904,906,154/112,False,False,False,,-2.1138,133.91,20,not applicable,9,4,InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9-,10-/m1/s1,NIDVTARKFBZMOT-PEBGCTIMSA-N,True,True,True,True,True,True,True,True,True,True,other,rRNA,tRNA,Eubacteria,Eukaryota,,,,200,,True,True,True,True,True,HMDB0005923,HMDB0005923,,No,Yes
9,N4-methylcytidine,m4C,2000000004C,nucleoside,Cytidine,ν,None,CNc1nc(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)cc1,Natural,C10H15N3O5,257.1012,257.243,258.109,,,,126,False,False,False,,-2.0305,116.84,18,not applicable,8,4,InChI=1S/C10H15N3O5/c1-11-6-2-3-13(10(17)12-6)9-8(16)7(15)5(4-14)18-9/h2-3,5,7-9,14-16H,4H2,1H3,(H,11,12,17)/t5-,7-,8-,9-/m1/s1,LZCNWAXLJWBRJE-ZOQUXTDFSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,rRNA,Eubacteria,,,,281,,True,True,True,True,True,HMDB0000089,,No,Yes
82,N6,2'-O-dimethyladenosine,m6Am,2000000906A,nucleoside,Adenosine,χ,None,CO[C@H]1[C@H]([n]2cnc3c2ncnc3NC)O[C@H](CO)[C@H]1O,Natural,C12H17N5O4,295.1281,295.294,296.1359,,,,150,False,False,False,,-0.7934,114.55,21,not applicable,9,3,InChI=1S/C12H17N5O4/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(20-2)8(19)6(3-18)21-12/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)/t6-,8-,9-,12-/m1/s1,GRYSXUXXBDSYRT-WOUKDFQISA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,snRNA,,,,,430,,True,True,True,True,True,HMDB0004044,,No,Yes
430,N6,2'-O-dimethyladenosine-5'-monophospate,pm6Am,2000906551A,nucleotide,Adenosine,χ,None,CNc1ncnc2c1nc[n]2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1OC,Natural,C12H16N5O7P,None,373.259,None,,,,,False,False,False,,0.2,176.55,25,,12,2,InChI=1S/C12H18N5O7P/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(22-2)8(18)6(24-12)3-23-25(19,20)21/h4-6,8-9,12,18H,3H2,1-2H3,(H,13,14,15)(H2,19,20,21)/p-2/t6-,8-,9-,12-/m1/s1,RCPFPDICXYXAPF-WOUKDFQISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,82,,,True,True,True,True,True,,,None,None
124,N6,N6,2'-O-trimethyladenosine,m6,6Am,2000009066A,nucleoside,Adenosine,η,None,CN(C)c1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OC,Natural,C13H19N5O4,309.1437,309.321,310.1515,,,,164,False,False,False,,-0.8421,105.76,22,not applicable,9,2,InChI=1S/C13H19N5O4/c1-17(2)11-8-12(15-5-14-11)18(6-16-8)13-10(21-3)9(20)7(4-19)22-13/h5-7,9-10,13,19-20H,4H2,1-3H3/t7-,9-,10-,13-/m1/s1,IPRQAJTUSRLECG-QYVSTXNMSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,methyl group,,,,,,431,,False,False,True,True,True,HMDB0004044,,No,Yes
431,N6,N6,2'-O-trimethyladenosine-5'-monophospate,pm6,6Am,2009066551A,nucleotide,Adenosine,η,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1cnc2c(N(C)C)ncnc12,Natural,C13H18N5O7P,None,387.285,None,,,,,False,False,False,,0.1513,167.76,26,,12,1,InChI=1S/C13H20N5O7P/c1-17(2)11-8-12(15-5-14-11)18(6-16-8)13-10(23-3)9(19)7(25-13)4-24-26(20,21)22/h5-7,9-10,13,19H,4H2,1-3H3,(H2,20,21,22)/p-2/t7-,9-,10-,13-/m1/s1,OROHJDZFJOHPRL-QYVSTXNMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,124,,,False,False,True,True,True,,,None,None
41,N6,N6-dimethyladenosine,m6,6A,2000000066A,nucleoside,Adenosine,ζ,72266,CN(C)c1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C12H17N5O4,295.1281,295.294,296.1359,1,86 (Kellner 2014); 2,57 (Kellner 2014),after m6A (Kellner 2014, Kellner 2014),904,905,906,164,False,False,False,,-1.4962,116.76,21,not applicable,9,3,InChI=1S/C12H17N5O4/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1,WVGPGNPCZPYCLK-WOUKDFQISA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,rRNA,Eubacteria,Eukaryota,,,,192,,False,False,True,True,True,HMDB0004044,,No,Yes
10,N6-(cis-hydroxyisopentenyl)adenosine,io6A,2000000060A,nucleoside,Adenosine,Ỽ,None,CC(CO)=CCNc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C15H21N5O5,351.1543,351.358,352.1621,2,59 (Kellner 2014),after m6A (Kellner 2014),904,220,False,False,False,,-1.1387,145.78,25,not applicable,10,5,InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1,GOSWTRUMMSCNCW-SDBHATRESA-N,True,True,True,True,True,True,True,True,True,True,other,other,tRNA,Eubacteria,,,,432,,True,True,True,True,True,HMDB0030388,,No,Yes
432,N6-(cis-hydroxyisopentenyl)adenosine-5'-monophospate,pio6A,2000060551A,nucleotide,Adenosine,Ỽ,None,CC(=CCNc1ncnc2c1nc[n]2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O)CO,Natural,C15H20N5O8P,None,429.322,None,,,,,False,False,False,,-0.1453,207.78,29,,13,4,InChI=1S/C15H22N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,16,17,18)(H2,24,25,26)/p-2/t9-,11-,12-,15-/m1/s1,IRILMCCKFANGJQ-SDBHATRESA-L,True,True,True,True,True,True,True,True,True,True,,,,,,10,,,True,True,True,True,True,,,None,None
125,N6-acetyladenosine,ac6A,2000000064A,nucleoside,Adenosine,⇓,None,CC(Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=O,Natural,C12H15N5O5,309.1073,309.278,310.1151,,,,178,False,False,False,,-1.5308,142.62,22,not applicable,10,4,InChI=1S/C12H15N5O5/c1-5(19)16-10-7-11(14-3-13-10)17(4-15-7)12-9(21)8(20)6(2-18)22-12/h3-4,6,8-9,12,18,20-21H,2H2,1H3,(H,13,14,16,19)/t6-,8-,9-,12-/m1/s1,SLLVJTURCPWLTP-WOUKDFQISA-N,True,True,True,True,True,True,True,True,True,True,,,,,found in bulk tRNA from Methanopyrus kandleri,,433,852,True,True,True,True,True,HMDB0004044,,No,Yes
433,N6-acetyladenosine-5'-monophospate,pac6A,2000064551A,nucleotide,Adenosine,⇓,None,CC(=O)Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C12H14N5O8P,None,387.242,None,,,,,False,False,False,,-0.5374,204.62,26,,13,3,InChI=1S/C12H16N5O8P/c1-5(18)16-10-7-11(14-3-13-10)17(4-15-7)12-9(20)8(19)6(25-12)2-24-26(21,22)23/h3-4,6,8-9,12,19-20H,2H2,1H3,(H2,21,22,23)(H,13,14,16,18)/p-2/t6-,8-,9-,12-/m1/s1,HEIJLJLFABINGL-WOUKDFQISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,125,,,True,True,True,True,True,,,None,None
325,N6-dimethyl-3'-amino-adenosine-5'-monophosphate,5AA,,nucleotide,Adenosine,㐂,None,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1N)[n]1c[n]c2c1[n]c[n]c2N(C)C)(=O)[O-],Unnatural,C12H17N6O6P,None,372.274,None,,,,,False,False,False,,0.1639,184.55,25,not aplicable,12,2,InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/p-2/t6-,7-,9-,12-/m1/s1,BFPIKGKMRKBBBF-GRIPGOBMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,False,False,True,True,True,,5AA,No,Yes
177,N6-formyladenosine,f6A,2000000067A,nucleoside,Adenosine,Ϩ,None,OC[C@H]1O[C@@H]([n]2cnc3c(NC=O)ncnc23)[C@H](O)[C@@H]1O,Natural,C11H13N5O5,295.0917,295.251,296.0995,,,,164,False,False,False,,-1.285,142.62,21,not applicable,10,4,InChI=1S/C11H13N5O5/c17-1-5-7(19)8(20)11(21-5)16-3-14-6-9(15-4-18)12-2-13-10(6)16/h2-5,7-8,11,17,19-20H,1H2,(H,12,13,15,18)/t5-,7-,8-,11-/m1/s1,BBJXVWOUESNRCD-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,,mRNA,Eukaryota,,,,434,791,True,True,True,True,True,HMDB0004044,,No,Yes
434,N6-formyladenosine-5'-monophospate,pf6A,2000067551A,nucleotide,Adenosine,Ϩ,None,O=CNc1ncnc2c1nc[n]2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C11H12N5O8P,None,373.215,None,,,,,False,False,False,,-0.2916,204.62,25,,13,3,InChI=1S/C11H14N5O8P/c17-4-15-9-6-10(13-2-12-9)16(3-14-6)11-8(19)7(18)5(24-11)1-23-25(20,21)22/h2-5,7-8,11,18-19H,1H2,(H2,20,21,22)(H,12,13,15,17)/p-2/t5-,7-,8-,11-/m1/s1,PZPJTESGCRELTA-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,177,,,True,True,True,True,True,,,None,None
114,N6-glycinylcarbamoyladenosine,g6A,2000000065A,nucleoside,Adenosine,≡,None,OC(CNC(Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=O)=O,Natural,C13H16N6O7,368.108,368.302,369.1158,,,,237,False,False,False,,-1.8922,191.95,26,not applicable,13,6,InChI=1S/C13H16N6O7/c20-2-5-8(23)9(24)12(26-5)19-4-17-7-10(15-3-16-11(7)19)18-13(25)14-1-6(21)22/h3-5,8-9,12,20,23-24H,1-2H2,(H,21,22)(H2,14,15,16,18,25)/t5-,8-,9-,12-/m1/s1,AHESNRWOMYGILC-JJNLEZRASA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,other,,,,g6A was isolated from bulk yeast tRNA,,435,770,True,True,True,True,True,HMDB0041623,,No,Yes
435,N6-glycinylcarbamoyladenosine-5'-monophosphate,pg6A,2000065551A,nucleotide,Adenosine,≡,None,O=C(O)CNC(=O)Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C13H15N6O10P,None,446.266,None,,,,,False,False,False,,-0.8988,253.95,30,,16,5,InChI=1S/C13H17N6O10P/c20-6(21)1-14-13(24)18-10-7-11(16-3-15-10)19(4-17-7)12-9(23)8(22)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,22-23H,1-2H2,(H,20,21)(H2,25,26,27)(H2,14,15,16,18,24)/p-2/t5-,8-,9-,12-/m1/s1,AJRPJXAGFQSUFS-JJNLEZRASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,114,,,True,True,True,True,True,,,None,None
176,N6-hydroxymethyladenosine,hm6A,2000000068A,nucleoside,Adenosine,Ϫ,None,O[C@H]1[C@H]([n]2cnc3c(NCO)ncnc23)O[C@H](CO)[C@H]1O,Natural,C11H15N5O5,297.1073,297.267,298.1151,,,,268/136,False,False,False,,-2.1275,145.78,21,not applicable,10,5,InChI=1S/C11H15N5O5/c17-1-5-7(19)8(20)11(21-5)16-3-14-6-9(15-4-18)12-2-13-10(6)16/h2-3,5,7-8,11,17-20H,1,4H2,(H,12,13,15)/t5-,7-,8-,11-/m1/s1,ZDSMLAYSJRQEGM-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,,mRNA,Eukaryota,,,,436,791,True,True,True,True,True,HMDB0004044,,No,Yes
436,N6-hydroxymethyladenosine-5'-monophosphate,phm6A,2000068551A,nucleotide,Adenosine,Ϫ,None,O=P([O-])([O-])OC[C@H]1O[C@@H]([n]2cnc3c(NCO)ncnc23)[C@H](O)[C@@H]1O,Natural,C11H14N5O8P,None,375.231,None,,,,,False,False,False,,-1.1341,207.78,25,,13,4,InChI=1S/C11H16N5O8P/c17-4-15-9-6-10(13-2-12-9)16(3-14-6)11-8(19)7(18)5(24-11)1-23-25(20,21)22/h2-3,5,7-8,11,17-19H,1,4H2,(H,12,13,15)(H2,20,21,22)/p-2/t5-,7-,8-,11-/m1/s1,HLCXXKLOAHDOAW-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,176,,,True,True,True,True,True,,,None,None
19,N6-hydroxynorvalylcarbamoyladenosine,hn6A,2000000063A,nucleoside,Adenosine,√,None,CCC(O)C(NC(Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=O)C(O)=O,Natural,C16H22N6O8,426.1499,426.381,427.1577,1,93 (Kellner 2014),between A and m6A (Kellner 2014),904,295,False,False,False,,-1.7527,212.18,30,not applicable,14,7,InChI=1S/C16H22N6O8/c1-2-6(24)8(15(27)28)20-16(29)21-12-9-13(18-4-17-12)22(5-19-9)14-11(26)10(25)7(3-23)30-14/h4-8,10-11,14,23-26H,2-3H2,1H3,(H,27,28)(H2,17,18,20,21,29)/t6?,7-,8?,10-,11-,14-/m1/s1,CKYYHBNGEDJKKW-DGTGAXRRSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,other,other,,,,,,437,879,True,True,True,True,True,HMDB0041623,,No,Yes
437,N6-hydroxynorvalylcarbamoyladenosine-5'-monophosphate,phn6A,2000063551A,nucleotide,Adenosine,√,None,CCC(O)C(NC(=O)Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O)C(=O)O,Natural,C16H21N6O11P,None,504.345,None,,,,,False,False,False,,-0.7593,274.18,34,,17,6,InChI=1S/C16H23N6O11P/c1-2-6(23)8(15(26)27)20-16(28)21-12-9-13(18-4-17-12)22(5-19-9)14-11(25)10(24)7(33-14)3-32-34(29,30)31/h4-8,10-11,14,23-25H,2-3H2,1H3,(H,26,27)(H2,29,30,31)(H2,17,18,20,21,28)/p-2/t6?,7-,8?,10-,11-,14-/m1/s1,FCEWVPFYLVOGID-DGTGAXRRSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,19,,,True,True,True,True,True,,,None,None
253,N6-isopentenyl-adenosine-5'-monophosphate,pi6A,2000061551A,nucleotide,Adenosine,Ч,None,CC(=CCNc1c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O3)cn2)ncn1)C,Natural,C15H20N5O7P,None,413.322,None,,,,,False,False,False,,0.8823,187.55,28,not aplicable,12,3,InChI=1S/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/p-2/t9-,11-,12-,15-/m1/s1,DUISZFLWBAPRBR-SDBHATRESA-L,True,True,True,True,True,True,True,True,True,True,,,,,,51,,,True,True,True,True,True,,6IA,No,Yes
56,N6-isopentenyladenosine,i6A,2000000061A,nucleoside,Adenosine,Ч,266767,CC(C)=CCNc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C15H21N5O4,335.1594,335.358,336.1672,3,24 (Kellner 2014),after m6A (Kellner 2014),904,905,204/136/148,False,False,False,,-0.1111,125.55,24,not applicable,9,4,InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1,USVMJSALORZVDV-SDBHATRESA-N,True,True,True,True,True,True,True,True,True,True,other,tRNA,Eubacteria,Eukaryota,,,,253,,True,True,True,True,True,HMDB0030388,,No,Yes
16,N6-methyl-N6-threonylcarbamoyladenosine,m6t6A,2000000662A,nucleoside,Adenosine,E,None,C[C@H]([C@@H](C(=O)O)NC(Nc1c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)cn2)ncn1)=O)O,Natural,C15H20N6O8,426.1499,412.355,427.1577,1,93 (Kellner 2014),between A and m6A (Kellner 2014),904,295,False,False,False,,-2.1428,212.18,29,not applicable,14,7,InChI=1S/C15H20N6O8/c1-5(23)7(14(26)27)19-15(28)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)29-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,26,27)(H2,16,17,19,20,28)/t5-,6-,7+,9-,10-,13-/m1/s1,UNUYMBPXEFMLNW-DWVDDHQFSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,methyl group,other,tRNA,Eubacteria,,,,231,,True,True,True,True,True,HMDB0041623,,No,Yes
302,N6-methyl-N6-threonylcarbamoyladenosine-5'-monophosphate,pm6t6A,2000662551A,nucleotide,Adenosine,E,None,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2N(C)C(=O)N[C@H](C(O)=O)[C@H](O)C)(=O)[O-],Natural,C16H21N6O11P,None,504.345,None,,,,,False,False,False,,-1.1981,265.39,34,not aplicable,17,5,InChI=1S/C16H23N6O11P/c1-6(23)8(15(26)27)20-16(28)21(2)12-9-13(18-4-17-12)22(5-19-9)14-11(25)10(24)7(33-14)3-32-34(29,30)31/h4-8,10-11,14,23-25H,3H2,1-2H3,(H,20,28)(H,26,27)(H2,29,30,31)/p-2/t6-,7-,8+,10-,11-,14-/m1/s1,VIABIDFODSKCDL-KQSSXJRRSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,130,,,True,True,True,True,True,,AET,No,Yes
338,N6-methyl-adenosine pentaphosphate 5' cap (cap Ap5N),m6ApppppN,2000064555N,nucleotide,Adenosine, Cytidine, Guanosine, Uridine,Ϛ,None,,Natural,,None,None,None,,,,,False,False,False,,None,None,None,,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,,,,,,,,False,False,False,False,False,,,No,Yes
337,N6-methyl-adenosine tetraphosphate 5' cap (cap Ap4N),m6AppppN,2000064554N,nucleotide,Adenosine, Cytidine, Guanosine, Uridine,Ϙ,None,,Natural,,None,None,None,,,,,False,False,False,,None,None,None,,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,,,,,,,,False,False,False,False,False,,,No,Yes
336,N6-methyl-adenosine triphosphate 5' cap (cap A),m6ApppN,2000064553N,nucleotide,Adenosine, Cytidine, Guanosine, Uridine,Ϯ,None,,Natural,,None,None,None,,,,,False,False,False,,None,None,None,,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,,,,,,,,False,False,False,False,False,,,No,Yes
96,N6-methyladenosine,m6A,2000000006A,nucleoside,Adenosine,Ж,None,CNc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C11H15N5O4,281.1124,281.268,282.1202,1,66 (Kellner 2014); 1,97 (Kellner 2014),after A (Kellner 2014, Kellner 2014),904,906,150,False,False,False,,-1.4475,125.55,20,not applicable,9,4,InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1,VQAYFKKCNSOZKM-IOSLPCCCSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,mRNA,rRNA,snRNA,tRNA,Eubacteria,Eukaryota,,,,211,,True,True,True,True,True,,,No,Yes
211,N6-methyladenosine-5'-monophosphate,pm6A,2000006551A,nucleotide,Adenosine,Ж,None,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2NC)(=O)[O-],Natural,C11H14N5O7P,None,359.232,None,,,,,False,False,False,,-0.4541,187.55,24,not aplicable,12,3,InChI=1S/C11H16N5O7P/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21)/p-2/t5-,7-,8-,11-/m1/s1,WETVNPRPZIYMAC-IOSLPCCCSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,96,,,True,True,True,True,True,,6MZ,No,Yes
130,N6-threonylcarbamoyladenosine,t6A,2000000062A,nucleoside,Adenosine,6,None,CC(O)C(N)C(NC(Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=O)=O,Natural,C15H21N7O7,412.1343,411.37,413.1421,1,62 (Kellner 2014),between A and m6A (Kellner 2014),904,905,281,False,False,False,,-2.0418,217.97,29,not applicable,14,7,InChI=1S/C15H21N7O7/c1-5(24)7(16)13(27)21-15(28)20-11-8-12(18-3-17-11)22(4-19-8)14-10(26)9(25)6(2-23)29-14/h3-7,9-10,14,23-26H,2,16H2,1H3,(H2,17,18,20,21,27,28)/t5?,6-,7?,9-,10-,14-/m1/s1,OPPXXSJNEJKHJA-GQFURFNTSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,other,tRNA,Eubacteria,Eukaryota,,,,231,,True,True,True,True,True,HMDB0041623,,No,Yes
231,N6-threonylcarbamoyladenosine-5'-monophosphate,pt6A,2000062551A,nucleotide,Adenosine,6,None,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2NC(=O)N[C@H](C(O)=O)[C@H](O)C)(=O)[O-],Natural,C15H19N6O11P,None,490.319,None,,,,,False,False,False,,-1.1494,274.18,33,not aplicable,17,6,InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)19-15(27)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(32-13)2-31-33(28,29)30/h3-7,9-10,13,22-24H,2H2,1H3,(H,25,26)(H2,28,29,30)(H2,16,17,19,20,27)/p-2/t5-,6-,7+,9-,10-,13-/m1/s1,BHFCEFYJTLMMEQ-DWVDDHQFSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,130,,,True,True,True,True,True,,T6A,No,Yes
339,N7-methyl-guanosine  tetraphosphate 5' cap (cap m7Gp4N),m7GppppN,2000079554N,nucleotide,Adenosine, Cytidine, Guanosine, Uridine,Ϟ,None,,Natural,,None,None,None,,,,,False,False,False,,None,None,None,,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,,,,,,,,False,False,False,False,False,,,No,Yes
132,N7-methyl-guanosine cap (cap 0),m7GpppN,2000079553N,nucleotide,Adenosine, Uridine, Cytidine, Guanosine,©,None,C[n+]1c[n]([C@@H]2O[C@H](COP([O-])(OP([O-])(OP([O-])(OC[C@H]3O[C@@H]%91[C@H](O)[C@@H]3O)=O)=O)=O)[C@@H](O)[C@H]2O)c2c1c(nc(N)[nH]2)=O.[*]%91,Natural,C16H23N5O17P3,455.0243,650.298,None,,,,,False,False,False,,-1.5702,366.7,42,unspecified residue,20,6,,,True,True,True,True,True,True,True,True,True,True,methyl group,mRNA,snRNA,Eukaryota,,wikipedia: The 5' cap is found on the 5' end of an mRNA molecule and consists of a guanine nucleotide connected to the mRNA via an unusual 5' to 5' triphosphate linkage. This guanosine is methylated on the 7 position directly after capping in vitro by a methyl transferase. It is referred to as a 7-methylguanosine cap, abbreviated m7G.

Most properties, save the triphosphate linkage, are the same as any other 7-methylguanosine.,,,,True,True,True,True,True,HMDB0001273,,No,Yes
201,O2'-methylcytidine-5'-monophosphate,pCm,2000090551C,nucleotide,Cytidine,B,None,CO[C@H]1[C@H]([n]2c(=O)nc(N)cc2)O[C@H](COP(=O)([O-])[O-])[C@H]1O,Natural,C10H14N3O8P,None,335.207,None,,,,,False,False,False,,-0.3343,181.83,22,not aplicable,11,2,InChI=1S/C10H16N3O8P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/p-2/t5-,7-,8-,9-/m1/s1,USRXKJOTSNCJMA-ZOQUXTDFSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,84,,,True,True,True,True,True,,OMC,No,Yes
193,O2'-methylguanosine-5'-monophosphate,pGm,2000090551G,nucleotide,Guanosine,#,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1cnc2c(=O)[nH]c(N)nc12,Natural,C11H14N5O8P,None,375.231,None,,,,,False,False,False,,-0.458,210.51,25,not aplicable,12,3,InChI=1S/C11H16N5O8P/c1-22-7-6(17)4(2-23-25(19,20)21)24-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/p-2/t4-,6-,7-,10-/m1/s1,YPMKZCOIEXUDSS-KQYNXXCUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,28,,,True,True,True,True,True,,OMG,No,Yes
205,O2'-methyluridine 5'-monophosphate,pUm,2000090551U,nucleotide,Uridine,J,None,CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1[n]1ccc(=O)[nH]c1=O,Natural,C10H13N2O9P,None,336.192,None,,,,,False,False,False,,-1.2044,175.78,22,not aplicable,10,2,InChI=1S/C10H15N2O9P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,18)/p-2/t5-,7-,8-,9-/m1/s1,FHMMECZNEPGJSJ-ZOQUXTDFSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,50,,,True,True,True,True,True,,OMU,No,Yes
189,[(1R,3R,4R,7S)-7-hydroxy-3-(5-methylcytosin-1-YL)-2,5-dioxabicyclo[2.2.1]hept-1-YL]methyl dihydrogen phosphate,LCC,,nucleotide,Cytidine,㐱,52942974,[O-]P(OC[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)N1C(N=C(N)C(=C1)C)=O)(=O)[O-],Unnatural,C11H16N3O8P,None,347.218,None,,,,,False,False,False,,-1.72948,166.36,39,not aplicable,11,2,InChI=1S/C11H16N3O8P/c1-5-2-14(10(16)13-8(5)12)9-6-7(15)11(22-9,3-20-6)4-21-23(17,18)19/h2,6-7,9,15H,3-4H2,1H3,(H2,12,13,16)(H2,17,18,19)/p-2/t6-,7+,9-,11-/m1/s1,RSSHBVFUGGVGMZ-YRCORFKGSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,LCC,No,Yes
228,[(1R,3R,4R,7S)-7-hydroxy-3-(adenin-9-YL)-2,5-dioxabicyclo[2.2.1]hept-1-YL]methyl dihydrogen phosphate,LCA,,nucleotide,Adenosine,㐜,49867229,[O-]P(OC[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)[n]1c[n]c2c1[n]c[n]c2N)(=O)[O-],Unnatural,C11H14N5O7P,None,357.216,None,,,,,False,False,False,,-1.4549,175.07000000000002,38,not aplicable,12,2,InChI=1S/C11H14N5O7P/c12-8-5-9(14-3-13-8)16(4-15-5)10-6-7(17)11(23-10,1-21-6)2-22-24(18,19)20/h3-4,6-7,10,17H,1-2H2,(H2,12,13,14)(H2,18,19,20)/p-2/t6-,7+,10-,11-/m1/s1,OBTOXYBRQOXRBH-LRMGWDNHSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,LCA,No,Yes
227,[(1R,3R,4R,7S)-7-hydroxy-3-(thymin-1-YL)-2,5-dioxabicyclo[2.2.1]hept-1-YL]methyl dihydrogen phosphate,TLN,,nucleotide,Uridine,㑒,52940531,[O-]P(OC[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)N1C(NC(=O)C(=C1)C)=O)(=O)[O-],Unnatural,C11H15N2O9P,None,347.195,None,,,,,False,False,False,,-2.01838,160.31,38,not aplicable,10,1,InChI=1S/C11H15N2O9P/c1-5-2-13(10(16)12-8(5)15)9-6-7(14)11(22-9,3-20-6)4-21-23(17,18)19/h2,6-7,9,14H,3-4H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t6-,7+,9-,11-/m1/s1,BXKGBLDLIZEIJX-YRCORFKGSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,TLN,No,Yes
210,[(1R,3R,4R,7S)-7hydroxy-3-(guanin-9-YL)-2,5-dioxabicyclo[2.2.1]hept-1-YL]methyl dihydrogen phosphate,LCG,,nucleotide,Guanosine,㐹,137349684,[O-]P(OC[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)[n]1c[n]c2C(=O)NC(N)=Nc21)(=O)[O-],Unnatural,C11H14N5O8P,None,372.208,None,,,,,False,False,False,,-2.161599999999998,195.04,39,not aplicable,13,2,InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-3-16(7)9-5-6(17)11(24-9,1-22-5)2-23-25(19,20)21/h3,5-6,9,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/p-2/t5-,6+,9-,11-/m1/s1,FZGXOAHULCKQGE-HLJYALQUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,LCG,No,Yes
458,[(2R,3S,5R)-5-(6-amino-8-deuteriopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]phosphonicacid,AD2,3000000551A,nucleotide,Adenosine,亃,None,[2H]c2nc1c(N)ncnc1n2[C@@H]3O[C@H](P(=O)(O)O)[C@@H](O)C3O,Unnatural,C9H12N5O6P,None,None,None,,,,,False,False,False,,None,None,None,,None,None,InChI=1S/C9H12N5O6P/c10-6-3-7(12-1-11-6)14(2-13-3)8-4(15)5(16)9(20-8)21(17,18)19/h1-2,4-5,8-9,15-16H,(H2,10,11,12)(H2,17,18,19)/t4?,5-,8+,9+/m0/s1,VPRXJAHZVKEKQS-NHAGEOGHSA-N,True,True,True,True,True,True,True,True,True,False,,,,,,,,,True,False,True,True,True,,,No,Yes
454,[(2R,3S,5R)-5-(6-amino-8-deuteriopurin-9-yl)-3-hydroxyoxolan-2-yl]phosphonicacid,2HA,1000000551U,nucleotide,Adenosine,从,None,[2H]c2nc1c(N)ncnc1n2[C@H]3C[C@H](O)[C@@H](P(=O)(O)O)O3,Unnatural,C9H12N5O5P,None,None,None,,,,,False,False,False,,None,None,None,,None,None,None,None,True,True,True,True,True,True,True,True,True,False,,,,,,,,,True,False,True,True,True,,,No,Yes
455,[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-(2-methoxyethyl)phosphonamidicacid,MU2,40000025551U,nucleotide,Uridine,乸,None,COCCNP(=O)(O)OC[C@H]2O[C@H](n1cc(C)c(=O)[nH]c1=O)C[C@@H]2O,Unnatural,,None,None,None,,,,,False,False,False,,None,None,None,,None,None,InChI=1S/C13H22N3O8P/c1-8-6-16(13(19)15-12(8)18)11-5-9(17)10(24-11)7-23-25(20,21)14-3-4-22-2/h6,9-11,17H,3-5,7H2,1-2H3,(H2,14,20,21)(H,15,18,19)/t9-,10+,11-/m0/s1,HDLYWOSKODLNMG-AXFHLTTASA-N,True,True,True,True,True,True,True,True,True,False,,,,,,,,,True,True,True,True,True,,,No,Yes
456,[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-propylphosphonamidicacid,MU3,40000035551U,nucleotide,Uridine,亱,None,CCCNP(=O)(O)OC[C@H]2O[C@H](n1cc(C)c(=O)[nH]c1=O)C[C@@H]2O,Natural,C13H22N3O7P,None,None,None,,,,,False,False,False,,None,None,None,,None,None,InChI=1S/C13H22N3O7P/c1-3-4-14-24(20,21)22-7-10-9(17)5-11(23-10)16-6-8(2)12(18)15-13(16)19/h6,9-11,17H,3-5,7H2,1-2H3,(H2,14,20,21)(H,15,18,19)/t9-,10+,11-/m0/s1,IWXICAGSHBGXLA-AXFHLTTASA-N,True,True,True,True,True,True,True,True,True,False,,,,,,,,,True,True,True,True,True,,,No,Yes
450,[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinicacid,MU1,4000015553U,nucleotide,Uridine,临,None,,Unnatural,C14H22N3O8P,None,None,None,,,,,False,False,False,,None,None,None,,None,None,None,None,True,True,True,True,True,True,True,True,True,False,,,,,,,,,True,False,True,True,True,,,No,Yes
453,[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyldihydrogenphosphate,P1T,4000005553U,nucleotide,Uridine,令,None,Cc2cn([C@@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1)c(=O)[nH]c2=O,Unnatural,C10H15N2O8P,None,None,None,,,,,False,False,False,,None,None,None,,None,None,None,None,True,True,True,True,True,True,True,True,True,False,,,,,,,,,True,False,True,True,True,,,No,Yes
451,[(2R,3S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate,D2C,1000000551G,nucleotide,Cytidine,仩,None,C1[C@@H]([C@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,Unnatural,C9H14N3O7P,None,None,None,,,,,False,False,False,,None,None,None,,None,None,InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8-/m0/s1,NCMVOABPESMRCP-BBVRLYRLSA-N,True,True,True,True,True,True,True,True,True,False,,,,,,,,,True,True,False,False,False,,,No,Yes
449,[(2S,3S,5R)-3-amino-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate,G38,1000000551G,nucleotide,Guanosine,亞,None,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N=C(NC2=O)N,Unnatural,C10 H15 N6 O6 P,None,None,None,,,,,False,False,False,,None,None,None,,None,None,None,None,True,True,True,True,True,True,True,True,True,False,,,,,,,,,True,False,True,True,True,,,No,Yes
448,[(2S,3S,5R)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate,NYM,1000001551U,nucleotide,Uridine,乕,None,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N,Unnatural,C10 H16 N3 O7 P,None,None,None,,,,,False,False,False,,None,None,None,,None,None,None,None,True,True,True,False,True,True,True,False,True,False,,,,,,,,,True,True,True,True,True,,,No,Yes
447,[(2S,3S,5R)-3-amino-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate",A43,1000000551A,nucleotide,Adenosine,串,None,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N,Unnatural,C10H15N6O5P,None,None,None,,,,,False,False,False,,None,None,None,,None,None,InChI=1S/C10H15N6O5P/c11-5-1-7(21-6(5)2-20-22(17,18)19)16-4-15-8-9(12)13-3-14-10(8)16/h3-7H,1-2,11H2,(H2,12,13,14)(H2,17,18,19)/t5-,6+,7+/m0/s1,CQMGILZSAPHZQF-RRKCRQDMSA-N,True,True,True,False,True,True,True,True,False,False,,,,,,,,,True,True,True,True,True,,,No,Yes
452,[(2S,5R)-5-(2-amino-8-deuterio-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methylphosphonicacid,2HG,1000000551G,nucleotide,Guanosine,亶,None,[2H]c2nc1c(=O)[nH]c(N)nc1n2[C@H]3CC(O)[C@@H](CP(=O)(O)O)O3,Unnatural,C10H14N5O6P,None,None,None,,,,,False,False,False,,None,None,None,,None,None,InChI=1S/C10H14N5O6P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-22(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4?,5-,6-/m1/s1,MJLHCAVVWHJYIU-YSLANXFLSA-N,True,True,True,True,True,True,True,True,True,False,,,,,,,,,True,True,True,True,True,,,No,Yes
257,[(2~{R},3~{R},4~{R},5~{R})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate,pac4Cm,2009042551C,nucleotide,Cytidine,ℵ,None,CO[C@H]1[C@H]([n]2c(=O)nc(NC(=O)C)cc2)O[C@H](COP(=O)([O-])[O-])[C@H]1O,Natural,C12H16N3O9P,None,377.244,None,,,,,False,False,False,,-0.4663,184.91,25,not aplicable,12,2,InChI=1S/C12H18N3O9P/c1-6(16)13-8-3-4-15(12(18)14-8)11-10(22-2)9(17)7(24-11)5-23-25(19,20)21/h3-4,7,9-11,17H,5H2,1-2H3,(H2,19,20,21)(H,13,14,16,18)/p-2/t7-,9-,10-,11-/m1/s1,XSIWUOJELZFTTR-QCNRFFRDSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,106,,,True,True,True,True,True,,LHH,No,Yes
282,[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxyphosphinic acid,O2Z,,nucleotide,Unknown,㐞,145946099,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c(N)[n]c2NN)(=O)[O-],Unnatural,C10H16N7O7P,None,375.235,None,None,None,,None,False,False,False,,-2.577399999999999,224.12,41,not aplicable,14,5,InChI=1S/C10H16N7O7P/c11-10-14-7(16-12)4-8(15-10)17(2-13-4)9-6(19)5(18)3(24-9)1-23-25(20,21)22/h2-3,5-6,9,18-19H,1,12H2,(H2,20,21,22)(H3,11,14,15,16)/p-2/t3-,5-,6-,9-/m1/s1,QHLBVSKMFFHOCN-UUOKFMHZSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,O2Z,No,Yes
250,[(2~{R},3~{S},4~{R},5~{R})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate,pm4,4C,2000044551C,nucleotide,Cytidine,μ,None,CN(c1nc(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1)C,Natural,C11H16N3O8P,None,349.234,None,,,,,False,False,False,,-1.0858,170.05,23,not aplicable,11,2,InChI=1S/C11H18N3O8P/c1-13(2)7-3-4-14(11(17)12-7)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h3-4,6,8-10,15-16H,5H2,1-2H3,(H2,18,19,20)/p-2/t6-,8-,9-,10-/m1/s1,PGVGGVCCRBGELR-PEBGCTIMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,15,,,True,True,True,True,True,,LV2,No,Yes
258,[(2~{R},3~{S},4~{R},5~{S})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate,B8H,,nucleotide,Unknown,㑓,71668267,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1C(NC(=O)N(C=1)C)=O)(=O)[O-],Unnatural,C10H15N2O9P,None,335.184,None,None,None,,None,False,False,False,,-2.6553999999999984,171.31,37,not aplicable,10,2,InChI=1S/C10H15N2O9P/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,8+/m1/s1,VORAOZTXNOXTGQ-XUTVFYLZSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,B8H,No,Yes
304,[(6-amino-9H-purin-9-YL)-[5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole]-4'YL]methyl dihydrogen phosphate,ANZ,,nucleotide,Adenosine,㐟,16214829,[O-]P(OC[C@H]1O[C@@H]([n]2c3[n]c[n]c(N)c3[n]c2)[C@@H]2O[B@-]3(O[C@H]12)OCc1c3ccc(F)c1)(=O)[O-],Unnatural,C17H17BFN5O8P-,None,478.113,None,None,None,,None,False,False,False,,-0.2854000000000001,173.29999999999998,50,not aplicable,13,1,InChI=1S/C17H17BFN5O8P/c19-9-1-2-10-8(3-9)4-28-18(10)31-13-11(5-29-33(25,26)27)30-17(14(13)32-18)24-7-23-12-15(20)21-6-22-16(12)24/h1-3,6-7,11,13-14,17H,4-5H2,(H2,20,21,22)(H2,25,26,27)/q-1/p-2/t11-,13-,14-,17-,18+/m1/s1,ZLSXXTYLUMEAGG-LBTDBDNISA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,ANZ,No,Yes
315,adenine arabinose-5'-phosphate,A5O,,nucleotide,Adenosine,㐠,34768,[O-]P(OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2N)(=O)[O-],Unnatural,C10H14N5O7P,None,345.205,None,None,None,,None,False,False,False,,-1.863,186.07,37,not aplicable,12,3,InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7+,10-/m1/s1,UDMBCSSLTHHNCD-UHTZMRCNSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,A5O,No,Yes
109,adenosine,A,A,nucleoside,Adenosine,A,60961,Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C10H13N5O4,267.0968,267.241,268.1046,1.43,,,136,False,False,False,,-1.3988,139.54,19,not applicable,9,4,InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1,OIRDTQYFTABQOQ-KQYNXXCUSA-N,True,True,True,True,True,True,True,True,True,True,,,Archaea,Eubacteria,Eukaryota,,,,444,,True,True,True,True,True,HMDB0000050,HMDB0000050,,No,Yes
335,adenosine pentaphosphate 5' cap (cap Ap5N),ApppppN,2000004555N,nucleotide,Adenosine, Cytidine, Guanosine, Uridine,Ϭ,None,,Natural,,None,None,None,,,,,False,False,False,,None,None,None,,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,,,,,,,,False,False,False,False,False,,,No,Yes
334,adenosine tetraphosphate 5' cap (cap Ap4N),AppppN,2000004554N,nucleotide,Adenosine, Cytidine, Guanosine, Uridine,IJ,None,,Natural,,None,None,None,,,,,False,False,False,,None,None,None,,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,,,,,,,,False,False,False,False,False,,,No,Yes
333,adenosine triphosphate 5' cap (cap A),ApppN,2000004553N,nucleotide,Adenosine, Cytidine, Guanosine, Uridine,Ϩ,None,,Natural,,None,None,None,,,,,False,False,False,,None,None,None,,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,,,,,,,,False,False,False,False,False,,,No,Yes
310,adenosine-3',5'-diphosphate,pAp,2000033551A,nucleotide,Adenosine,Ợ,None,[O-]P(O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)([O-])[O-])[n]1c[n]c2c1[n]c[n]c2N)(=O)[O-],Natural,C10H11N5O10P2,None,423.169,None,,,,,False,False,False,,0.588,263.54,27,not aplicable,15,2,InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/p-4/t4-,6-,7-,10-/m1/s1,WHTCPDAXWFLDIH-KQYNXXCUSA-J,True,True,True,True,True,True,True,True,True,True,,,,,,109,,,True,True,True,True,True,,A3P,No,Yes
265,adenosine-5'-(dithio)phosphate,ADS,,nucleotide,Adenosine,㐡,70789225,[S-]P(OC[C@@H]1[C@H]([C@@H](O)[C@@H](O1)[n]1c[n]c2c1[n]c[n]c2N)O)(=O)[S-],Unnatural,C10H14N5O5PS2,None,377.337,None,None,None,,None,False,False,False,,0.0119999999999999,145.61,37,not aplicable,12,3,InChI=1S/C10H14N5O5PS2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(20-10)1-19-21(18,22)23/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,22,23)/p-2/t4-,6-,7-,10-/m1/s1,RPDDEEQJNPPYRG-KQYNXXCUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,ADS,No,Yes
317,adenosine-5'-diphosphate,ppA,2000000552A,nucleotide,Adenosine,,None,[O-][P@@](OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2N)(OP([O-])(=O)[O-])=O,Natural,C10H12N5O10P2,None,424.177,None,,,,,False,False,False,,0.1498,260.71,27,not aplicable,15,3,InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1,XTWYTFMLZFPYCI-KQYNXXCUSA-K,True,True,True,True,True,True,True,True,True,True,,,,,,109,,,True,True,True,True,True,,,No,Yes
444,adenosine-5'-monophosphate,pA,A,nucleotide,Adenosine,A,None,Nc1c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O3)cn2)ncn1,Natural,C10H12N5O7P,None,345.205,None,,,,,False,False,False,,-0.4054,201.54,23,,12,3,InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1,UDMBCSSLTHHNCD-KQYNXXCUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,109,,,True,True,True,True,True,,,None,None
215,adenosine-5'-phosphate-2',3'-cyclic phosphate,pA2'3'cp,2000003377A,nucleotide,Adenosine,Ҕ,None,[O-][P@@]1(O[C@H]2[C@@H](O[C@H](COP(=O)([O-])[O-])[C@H]2O1)[n]1c[n]c2c1[n]c[n]c2N)=O,Natural,C10H10N5O9P2,None,406.162,None,None,None,,None,False,False,False,,1.1954,229.48,26,not aplicable,14,1,InChI=1S/C10H13N5O9P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(23-26(19,20)24-7)4(22-10)1-21-25(16,17)18/h2-4,6-7,10H,1H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)/p-3/t4-,6-,7-,10-/m1/s1,HJMBCNJTGVMDOA-KQYNXXCUSA-K,True,True,True,True,True,True,True,True,True,True,,,,,None,109,,,True,True,True,True,True,,A23,No,Yes
243,adenosine-5'-thio-monophosphate,SRA,,nucleotide,Adenosine,㐢,6913230,Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=S)[C@@H](O)[C@H]1O,Unnatural,C10H14N5O6PS,None,363.287,None,None,None,,None,False,False,False,,-3.010599999999999,174.66,35,not aplicable,12,5,InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(21-10)1-20-22(18,19)23/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/p-2/t4-,6-,7-,10-/m1/s1,UBCPYVAQZGCDJO-KQYNXXCUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,SRA,No,Yes
233,adenosine-5'-triphosphate,pppA,2000000553A,nucleotide,Adenosine,ƿ,None,[O-][P@](OP(=O)([O-])[O-])(O[P@]([O-])(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2N)=O)=O,Natural,C10H12N5O13P3,None,503.149,None,,,,,False,False,False,,0.705,319.88,31,not aplicable,18,3,InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1,ZKHQWZAMYRWXGA-KQYNXXCUSA-J,True,True,True,True,True,True,True,True,True,True,,,,,,109,,,True,True,True,True,True,,ATP,No,Yes
141,agmatidine,C+,2000000020C,nucleoside,Cytidine,¿,None,NC(NCCCCNc1nc(=N)cc[n]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=N,Natural,C14H25N7O4,355.1968,355.393,356.2046,,,,224,False,False,False,,-0.9871,185.52,25,not applicable,11,8,InChI=1S/C14H25N7O4/c15-9-3-6-21(12-11(24)10(23)8(7-22)25-12)14(20-9)19-5-2-1-4-18-13(16)17/h3,6,8,10-12,22-24H,1-2,4-5,7H2,(H2,15,19,20)(H4,16,17,18)/t8-,10-,11-,12-/m1/s1,NHQSDCRALZPVAJ-HJQYOEGKSA-N,True,True,True,True,True,True,True,True,True,True,,tRNA,Archaea,,alternative name: 2-agmatinylcytidine, alternative abbreviation: agmt,,411,319,320,796,True,True,True,True,True,HMDB0003331,,No,Yes
411,agmatidine-5'-monophosphate,pC+,2000020551C,nucleotide,Cytidine,¿,None,N=C(N)NCCCCNc1nc(=N)cc[n]1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C14H24N7O7P,None,433.357,None,,,,,False,False,False,,0.0063,247.52,29,,14,7,InChI=1S/C14H26N7O7P/c15-9-3-6-21(14(20-9)19-5-2-1-4-18-13(16)17)12-11(23)10(22)8(28-12)7-27-29(24,25)26/h3,6,8,10-12,22-23H,1-2,4-5,7H2,(H2,15,19,20)(H4,16,17,18)(H2,24,25,26)/p-2/t8-,10-,11-,12-/m1/s1,BBBSJEHSPYDMPG-HJQYOEGKSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,141,,,True,True,True,True,True,,,None,None
170,alpha-dimethylmonophosphate 5' cap,mmpN,2000002551N,nucleotide,Adenosine, Uridine, Cytidine, Guanosine,Ѽ,None,COP(OC)(OC[C@H]1O[C@@H]%91[C@H](O)[C@@H]1O)=O.[*]%91,Natural,C7H14O7P,320.0062,241.156,None,,,,,False,False,False,,-0.1802,104.26,16,unspecified residue,7,2,,,True,True,True,True,True,True,True,True,True,True,hydrocarbon,pre-miRNA,Eukaryota,,,,,749,False,False,True,True,True,HMDB0001548,,No,Yes
171,alpha-methylmonophosphate 5' cap,mpN,2000001551N,nucleotide,Adenosine, Uridine, Cytidine, Guanosine,Ѿ,None,COP([O-])(OC[C@H]1O[C@@H]%91[C@H](O)[C@@H]1O)=O.[*]%91,Natural,C6H11O7P,305.9906,226.121,None,,,,,False,False,False,,-0.3961,118.09,15,unspecified residue,7,2,,,True,True,True,True,True,True,True,True,True,True,hydrocarbon,,Eukaryota,,,,,749,False,False,True,True,True,HMDB0001548,,No,Yes
140,any ribonucleoside residue,N,2000000000N,nucleoside,Adenosine, Cytidine, Guanosine, Uridine,.,None,,Natural,,0.0,0.0,None,,,,,False,False,False,,None,None,None,unspecified residue,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,tRNA,,,,,,,False,False,False,False,False,,,No,Yes
99,archaeosine,G+,2000000103G,nucleoside,Guanosine,(,None,Nc1[nH]c(=O)c2c(c[n]([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)C(N)=N,Natural,C12H16N6O5,324.1182,324.293,325.1255,,,,193,False,False,False,,-1.4164,196.49,23,not applicable,10,7,InChI=1S/C12H16N6O5/c13-8(14)3-1-18(9-5(3)10(22)17-12(15)16-9)11-7(21)6(20)4(2-19)23-11/h1,4,6-7,11,19-21H,2H2,(H3,13,14)(H3,15,16,17,22)/t4-,6-,7-,11-/m1/s1,PEMQXWCOMFJRLS-RPKMEZRRSA-N,True,True,True,True,True,True,True,True,True,True,,tRNA,,,Positively charged under physiological pH. Alternative abbreviation: fa7d7G.,,412,,True,True,True,True,True,HMDB0011596,,No,Yes
412,archaeosine-5'-monophosphate,pG+,2000103551G,nucleotide,Guanosine,(,None,N=C(N)c1c[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12,Natural,C12H15N6O8P,None,402.257,None,,,,,False,False,False,,-0.423,258.49,27,,13,6,InChI=1S/C12H17N6O8P/c13-8(14)3-1-18(9-5(3)10(21)17-12(15)16-9)11-7(20)6(19)4(26-11)2-25-27(22,23)24/h1,4,6-7,11,19-20H,2H2,(H3,13,14)(H2,22,23,24)(H3,15,16,17,21)/p-2/t4-,6-,7-,11-/m1/s1,ALFWBBQGYCDFHE-RPKMEZRRSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,99,,,True,True,True,True,True,,,None,None
175,cyclic N6-threonylcarbamoyladenosine,ct6A,2000000069A,nucleoside,Adenosine,e,None,CC(O)C1NC(=Nc2ncnc3c2nc[n]3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)OC1=O,Natural,C15H18N6O7,394.1237,394.339,395.1315,1,28 (Kellner 2014); 1,47 (Kellner 2014); 1,83 (Kellner 2014),between G and A (Kellner 2014); between A and m6A (Kellner 2014);,904,263,False,False,False,,-2.3501,184.44,28,not applicable,13,5,InChI=1S/C15H18N6O7/c1-5(23)7-14(26)28-15(19-7)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)27-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,16,17,19,20)/t5?,6-,7?,9-,10-,13-/m1/s1,NIMLOKNRDJCYPO-HZPYULPISA-N,True,True,True,True,True,True,True,True,True,True,,tRNA,Eubacteria,,,,413,,True,True,True,True,True,HMDB0000050,,No,Yes
413,cyclic N6-threonylcarbamoyladenosine-5'-monophosphate,pct6A,2000069551A,nucleotide,Adenosine,e,None,CC(O)C1NC(=Nc2ncnc3c2nc[n]3[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)OC1=O,Natural,C15H17N6O10P,None,472.303,None,,,,,False,False,False,,-1.3567,246.44,32,,16,4,InChI=1S/C15H19N6O10P/c1-5(22)7-14(25)31-15(19-7)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(30-13)2-29-32(26,27)28/h3-7,9-10,13,22-24H,2H2,1H3,(H2,26,27,28)(H,16,17,19,20)/p-2/t5?,6-,7?,9-,10-,13-/m1/s1,UOWQVIGOQLXGSK-HZPYULPISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,175,,,True,True,True,True,True,,,None,None
46,cytidine,C,C,nucleoside,Cytidine,C,6175,Nc1nc(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)cc1,Natural,C9H13N3O5,243.0855,243.217,244.0933,0.42,,,112,False,False,False,,-1.9818,130.83,17,not applicable,8,4,InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1,UHDGCWIWMRVCDJ-XVFCMESISA-N,True,True,True,True,True,True,True,True,True,True,,,Archaea,Eubacteria,Eukaryota,,,,300,,True,True,True,True,True,HMDB0000089,CTN,No,Yes
300,cytidine-5'-monophosphate,pC,C,nucleotide,Cytidine,C,None,Nc1nc(=O)[n]([C@H]2[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1,Natural,C9H12N3O8P,None,321.181,None,,,,,False,False,False,,-0.9884,192.83,21,not aplicable,11,3,InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1,IERHLVCPSMICTF-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,46,,,True,True,True,True,True,,C5P,No,Yes
209,cytidine-5'-phosphate-2',3'-cyclic phosphate,pC2'3'cp,2000003377C,nucleotide,Cytidine,Ҏ,None,Nc1cc[n]([C@H]2[C@@H]3O[P@]([O-])(=O)O[C@@H]3[C@@H](COP([O-])([O-])=O)O2)c(=O)n1,Natural,C9H10N3O10P2,None,382.137,None,None,None,,None,False,False,False,,0.6124,220.77,24,not aplicable,13,1,InChI=1S/C9H13N3O10P2/c10-5-1-2-12(9(13)11-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/p-3/t4-,6-,7-,8-/m1/s1,IZJNKZMLZILGRK-XVFCMESISA-K,True,True,True,True,True,True,True,True,True,True,,,,,None,46,,,True,True,True,True,True,,CCC,No,Yes
313,cytosine arabinose-5'-phosphate,CAR,,nucleotide,Cytidine,㐲,65177,[O-]P(OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1C(N=C(N)C=C1)=O)(=O)[O-],Unnatural,C9H14N3O8P,None,321.181,None,None,None,,None,False,False,False,,-2.446,177.36,35,not aplicable,11,3,InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7+,8-/m1/s1,IERHLVCPSMICTF-CCXZUQQUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,CAR,No,Yes
14,dihydrouridine,D,2000000008U,nucleoside,Uridine,D,94312,OC[C@H]1O[C@@H](N2CCC(=O)NC2=O)[C@H](O)[C@@H]1O,Natural,C9H14N2O6,246.0852,246.217,247.093,0,32 (Kellner 2014); 0,35 (Kellner 2014),before C (Kellner 2014, Kellner 2014),904,905,906,115/97,False,False,False,,-2.366,119.33,17,not applicable,8,4,InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1,ZPTBLXKRQACLCR-XVFCMESISA-N,True,True,True,True,True,True,True,True,True,True,ring modification,rRNA,tDNA,tRNA,Eubacteria,Eukaryota,,,,190,,True,True,True,True,True,HMDB0000497,HMDB0000497,,No,Yes
6,epoxyqueuosine,oQ,2000000102G,nucleoside,Guanosine,ς,None,Nc1[nH]c(=O)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)cc2CN[C@@H]2[C@@H](O)[C@@H](O)C3C2O3)n1,Natural,C17H23N5O8,425.1547,425.393,426.1625,,,,295/163,False,False,False,,-3.1486,211.64,30,not applicable,12,8,InChI=1S/C17H23N5O8/c18-17-20-14-6(15(28)21-17)4(1-19-7-9(25)10(26)13-12(7)30-13)2-22(14)16-11(27)8(24)5(3-23)29-16/h2,5,7-13,16,19,23-27H,1,3H2,(H3,18,20,21,28)/t5-,7-,8-,9-,10-,11-,12?,13?,16-/m1/s1,RRCFLRBBBFZLSB-RGYJGFAZSA-N,True,True,True,True,True,True,True,True,True,True,other,,Eubacteria,,,,414,,True,True,True,True,True,HMDB0011596,,No,Yes
414,epoxyqueuosine-5'-monophosphate,poQ,2000102551G,nucleotide,Guanosine,ς,None,Nc1nc2c(c(CN[C@H]3C4OC4[C@H](O)[C@@H]3O)c[n]2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1,Natural,C17H22N5O11P,None,503.357,None,,,,,False,False,False,,-2.1552,273.64,34,,15,7,InChI=1S/C17H24N5O11P/c18-17-20-14-6(15(27)21-17)4(1-19-7-9(24)10(25)13-12(7)33-13)2-22(14)16-11(26)8(23)5(32-16)3-31-34(28,29)30/h2,5,7-13,16,19,23-26H,1,3H2,(H2,28,29,30)(H3,18,20,21,27)/p-2/t5-,7-,8-,9-,10-,11-,12?,13?,16-/m1/s1,FFBFNAJRPROMLF-RGYJGFAZSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,6,,,True,True,True,True,True,,,None,None
86,galactosyl-queuosine,galQ,2000000104G,nucleoside,Guanosine,9,None,Nc1[nH]c(=O)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)cc2CN[C@@H]2[C@@H](O[C@H]3C(O)[C@H](O)[C@@H](O)C(CO)O3)[C@@H](O)C=C2)n1,Natural,C23H33N5O12,571.2126,571.534,572.2204,,,,440,False,False,False,,-4.5356,278.26,40,not applicable,16,11,InChI=1S/C23H33N5O12/c24-23-26-19-12(20(37)27-23)7(4-28(19)21-16(35)14(33)10(5-29)38-21)3-25-8-1-2-9(31)18(8)40-22-17(36)15(34)13(32)11(6-30)39-22/h1-2,4,8-11,13-18,21-22,25,29-36H,3,5-6H2,(H3,24,26,27,37)/t8-,9-,10+,11?,13-,14+,15+,16+,17?,18+,21+,22-/m0/s1,PMEPLRGWRNWIRD-HNJWXGMFSA-N,True,True,True,True,True,True,True,True,True,True,glycosyl group,tRNA,Eukaryota,,,,415,384,True,True,True,True,True,HMDB0011596,,No,Yes
415,galactosyl-queuosine-5'-monophosphate,pgalQ,2000104551G,nucleotide,Guanosine,9,None,Nc1nc2c(c(CN[C@H]3C=C[C@H](O)[C@@H]3O[C@@H]3OC(CO)[C@H](O)[C@@H](O)C3O)c[n]2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1,Natural,C23H32N5O15P,None,649.498,None,,,,,False,False,False,,-3.5422,340.26,44,,19,10,InChI=1S/C23H34N5O15P/c24-23-26-19-12(20(36)27-23)7(4-28(19)21-16(34)14(32)11(41-21)6-40-44(37,38)39)3-25-8-1-2-9(30)18(8)43-22-17(35)15(33)13(31)10(5-29)42-22/h1-2,4,8-11,13-18,21-22,25,29-35H,3,5-6H2,(H2,37,38,39)(H3,24,26,27,36)/p-2/t8-,9-,10?,11+,13-,14+,15+,16+,17?,18+,21+,22-/m0/s1,RFOZFZSQDFTCLH-GZFAKLNSSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,86,,,True,True,True,True,True,,,None,None
135,gamma-methyltriphosphate 5' cap,mpppN,2000001553N,nucleotide,Adenosine, Uridine, Cytidine, Guanosine,§,None,COP([O-])(OP([O-])(OP([O-])(OC[C@H]1O[C@@H]%91[C@H](O)[C@@H]1O)=O)=O)=O.[*]%91,Natural,C6H11O13P3,172.9405,384.065,None,,,,,False,False,False,,0.7143,236.43,23,unspecified residue,13,2,,,True,True,True,True,True,True,True,True,True,True,other,snRNA,Eukaryota,,See 'Modification and Editing of RNA', edited by Henri Grosjean; chapter 11.,,,,False,False,True,True,True,HMDB0060500,,No,Yes
42,glutamyl-queuosine,gluQ,2000000105G,nucleoside,Guanosine,⊄,None,NC(C(O[C@@H]1[C@@H](NCc2c3c(nc(nc3=O)N)[n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)c2)C=C[C@@H]1O)=O)CCC(=O)O,Natural,C22H29N6O10,538.2023,537.5,539.2101,,,,407,False,False,False,,-2.3763,252.18,38,not applicable,15,8,InChI=1S/C22H29N6O10/c23-9(1-4-13(31)32)21(36)38-17-10(2-3-11(17)30)25-5-8-6-28(18-14(8)19(35)27-22(24)26-18)20-16(34)15(33)12(7-29)37-20/h2-3,6,9-12,15-17,20,25,29-30,33-34H,1,4-5,7,23H2,(H2,24,26)(H,31,32)/t9?,10-,11-,12+,15+,16+,17+,20+/m0/s1,ZOFSBXGFRBRNCC-WZQAXZKQSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,tRNA,Eubacteria,,,,416,,True,True,True,True,True,HMDB0011596,,No,Yes
416,glutamyl-queuosine-5'-monophosphate,pgluQ,2000105551G,nucleotide,Guanosine,⊄,None,Nc1nc2c(c(CN[C@H]3C=C[C@H](O)[C@@H]3OC(=O)C(N)CCC(=O)O)c[n]2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1,Natural,C22H29N6O13P,None,616.472,None,,,,,False,False,False,,-0.9231,330.5,42,,18,8,InChI=1S/C22H31N6O13P/c23-9(1-4-13(30)31)21(35)41-17-10(2-3-11(17)29)25-5-8-6-28(18-14(8)19(34)27-22(24)26-18)20-16(33)15(32)12(40-20)7-39-42(36,37)38/h2-3,6,9-12,15-17,20,25,29,32-33H,1,4-5,7,23H2,(H,30,31)(H2,36,37,38)(H3,24,26,27,34)/p-2/t9?,10-,11-,12+,15+,16+,17+,20+/m0/s1,AEIYMHBHEXIIOV-WZQAXZKQSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,42,,,True,True,True,True,True,,,None,None
262,guanine arabinose-5'-phosphate,GAO,,nucleotide,Guanosine,㐺,135603658,[O-]P(OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)[n]1c[n]c2C(=O)NC(N)=Nc21)(=O)[O-],Unnatural,C10H14N5O8P,None,360.197,None,None,None,,None,False,False,False,,-2.569699999999999,206.04,38,not aplicable,13,3,InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6+,9-/m1/s1,RQFCJASXJCIDSX-FJFJXFQQSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,GAO,No,Yes
238,guanoside-5'-phosphate-2',3'-cyclic phosphate,pG2'3'cp,2000003377G,nucleotide,Guanosine,Ґ,None,[C@H]1([n]2cnc3c2nc(nc3=O)N)[C@@H]2O[P@]([O-])(=O)O[C@@H]2[C@@H](COP([O-])([O-])=O)O1,Natural,C10H9N5O10P2,None,421.153,None,None,None,,None,False,False,False,,-1.9061,243.27,27,not aplicable,15,1,InChI=1S/C10H12N5O10P2/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6-5(24-27(20,21)25-6)3(23-9)1-22-26(17,18)19/h2-3,5-6,9H,1H2,(H,20,21)(H2,11,14,16)(H2,17,18,19)/p-3/t3-,5-,6-,9-/m1/s1,MYDHAVOCUFAOHX-UUOKFMHZSA-K,True,True,True,True,True,True,True,True,True,True,,,,,None,38,,,False,False,False,False,False,,23G,No,Yes
38,guanosine,G,G,nucleoside,Guanosine,G,6802,Nc1[nH]c(=O)c2nc[n]([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,Natural,C10H13N5O5,283.0917,283.241,284.0995,1,,,152,False,False,False,,-2.1055,159.51,20,not applicable,9,5,InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1,NYHBQMYGNKIUIF-UUOKFMHZSA-N,True,True,True,True,True,True,True,True,True,True,,,Archaea,Eubacteria,Eukaryota,,,,235,,True,True,True,True,True,HMDB0000133,HMDB0000133,,No,Yes
161,guanosine added to any ribonucleotide,pG(pN),2000000551G2000000511N,nucleotide,Adenosine, Cytidine, Guanosine, Uridine,Ʉ,None,Nc1[nH]c2c(nc[n]2[C@H]2[C@H](O)[C@H](OP(OC[C@@H]3[C@@H](O)[C@@H](O)[C@H]%91O3)(=O)[O-])[C@@H](COP(=O)([O-])[O-])O2)c(=O)n1.[*]%91,Natural,C15H19N5O14P2,362.0502,555.284,None,,,,,False,False,False,,-1.1167,319.37,37,unspecified residue,18,5,None,None,True,True,True,True,True,True,True,True,True,True,,,Eukaryota,,,,,,True,True,True,True,True,HMDB0001314,,No,Yes
239,guanosine phosphorodithioate,2SG,,nucleotide,Guanosine,㐻,137348080,NC1NC(=O)c2nc[n]([C@H]3[C@H](O)[C@H](O)[C@@H](COP(=O)([S-])[S-])O3)c2N=1,Unnatural,C10H16N5O6PS2,None,396.36,None,None,None,,None,False,False,False,,-1.4006000000000007,168.74,40,not aplicable,13,7,InChI=1S/C10H14N5O6PS2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(21-9)1-20-22(19,23)24/h2-3,5-6,9,16-17H,1H2,(H2,19,23,24)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1,RCPMJGZEPAEYGZ-UUOKFMHZSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,2SG,No,Yes
148,guanosine triphosphate 5' cap (cap G),GpppN,2000009553N,nucleotide,Adenosine, Uridine, Cytidine, Guanosine,ϑ,None,Nc1nc(=O)c2c([n](cn2)[C@@H]2O[C@H](COP([O-])(OP([O-])(OP([O-])(OC[C@H]3O[C@@H]%91[C@H](O)[C@@H]3O)=O)=O)=O)[C@@H](O)[C@H]2O)[nH]1.[*]%91,Natural,C15H20N5O17P3,440.0008,635.264,None,,,,,False,False,False,,-0.9997,375.71,41,unspecified residue,21,6,,,True,True,True,True,True,True,True,True,True,True,,,Eukaryota,,,,,,True,True,True,True,True,HMDB0001273,,No,Yes
259,guanosine-3',5'-diphosphate,pGp,2000033551G,nucleotide,Guanosine,Ⱥ,None,[C@H]1([n]2cnc3c2nc(nc3=O)N)[C@H](O)[C@H](OP([O-])([O-])=O)[C@@H](COP([O-])([O-])=O)O1,Natural,C10H10N5O11P2,None,438.161,None,,,,,False,False,False,,-2.5135,277.33,28,not aplicable,16,2,InChI=1S/C10H14N5O11P2/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(26-28(21,22)23)3(25-9)1-24-27(18,19)20/h2-3,5-6,9,16H,1H2,(H2,11,14,17)(H2,18,19,20)(H2,21,22,23)/p-4/t3-,5-,6-,9-/m1/s1,CCJHMJVYJPHPHC-UUOKFMHZSA-J,True,True,True,True,True,True,True,True,True,True,,,,,,38,,,False,False,False,False,False,,PGP,No,Yes
218,guanosine-5'-diphosphate,ppG,2000000552G,nucleotide,Guanosine,Ƈ,None,[O-][P@@](OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2C(=O)NC(N)=Nc21)(OP([O-])(=O)[O-])=O,Natural,C10H12N5O11P2,None,440.177,None,,,,,False,False,False,,-0.5569,280.68,28,not aplicable,15,4,InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1,QGWNDRXFNXRZMB-UUOKFMHZSA-K,True,True,True,True,True,True,True,True,True,True,,,,,,38,,,True,True,True,True,True,,GDP,No,Yes
235,guanosine-5'-monophosphate,pG,G,nucleotide,Guanosine,G,None,Nc1nc2c(nc[n]2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1,Natural,C10H12N5O8P,None,361.205,None,,,,,False,False,False,,-1.1121,221.51,24,not aplicable,12,4,InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1,RQFCJASXJCIDSX-UUOKFMHZSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,38,,,True,True,True,True,True,,5GP,No,Yes
330,guanosine-5'-thio-monophosphate,GS,,nucleotide,Guanosine,㐼,135516852,NC1=Nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP([O-])([S-])=O)O2)C(=O)N1,Unnatural,C10H14N5O6PS,None,361.271,None,,,,,False,False,False,,-1.6179,168.40999999999997,35,not aplicable,12,3,InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(18,19)23/h3-6,16H,1-2H2,(H2,18,19,23)(H3,11,13,14,17)/p-2/t4-,5+,6+/m0/s1,PSIUGNOLTIFXCJ-KVQBGUIXSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,GS,No,Yes
202,guanosine-5'-triphosphate,pppG,2000000553G,nucleotide,Guanosine,Ȝ,None,[C@H]1([n]2cnc3c2nc(nc3=O)N)[C@H](O)[C@H](O)[C@@H](CO[P@](O[P@@]([O-])(=O)OP([O-])([O-])=O)(=O)[O-])O1,Natural,C10H11N5O14P3,None,518.141,None,,,,,False,False,False,,-2.3965,333.67,32,not aplicable,19,3,InChI=1S/C10H15N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,11,14,18)(H2,19,20,21)/p-4/t3-,5-,6-,9-/m1/s1,RAAAGMXZLKNBBU-UUOKFMHZSA-J,True,True,True,True,True,True,True,True,True,True,,,,,,38,,,False,False,False,False,False,,GTP,No,Yes
326,guanosine-P3-adenosine-5',5'-triphosphate,G3A,,nucleotide,Guanosine,㐽,135450590,[O-][P@](OC[C@H]1O[C@@H]([n]2c3N=C(N)NC(=O)c3[n]c2)[C@H](O)[C@@H]1O)(O[P@@]([O-])(O[P@]([O-])(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2N)=O)=O)=O,Unnatural,C20H27N10O17P3,None,768.375,None,None,None,,None,False,False,False,,-3.2700999999999967,407.41,77,not aplicable,27,6,InChI=1S/C20H27N10O17P3/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(44-18)1-42-48(36,37)46-50(40,41)47-49(38,39)43-2-7-11(32)13(34)19(45-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H2,21,23,24)(H3,22,27,28,35)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1,PMJUJCUPNRCBNP-INFSMZHSSA-K,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,G3A,No,Yes
181,hydroxy-N6-threonylcarbamoyladenosine,ht6A,2000002165A,nucleoside,Adenosine,«,None,OC(C(NC(Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=O)C(O)CO)=O,Natural,C15H20N6O9,428.1292,428.354,None,,,,,False,False,False,,-3.1704,232.41,30,not applicable,15,8,InChI=1S/C15H20N6O9/c22-1-5(24)7(14(27)28)19-15(29)20-11-8-12(17-3-16-11)21(4-18-8)13-10(26)9(25)6(2-23)30-13/h3-7,9-10,13,22-26H,1-2H2,(H,27,28)(H2,16,17,19,20,29)/t5?,6-,7?,9-,10-,13-/m1/s1,VNCHNCDAHRIAAU-HZPYULPISA-N,True,True,True,True,True,True,True,True,True,True,,tRNA,Eukaryota,,,,417,938,True,True,True,True,True,HMDB0041623,,No,Yes
417,hydroxy-N6-threonylcarbamoyladenosine-5'-monophosphate,pht6A,2002165551A,nucleotide,Adenosine,«,None,O=C(Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O)NC(C(=O)O)C(O)CO,Natural,C15H19N6O12P,None,506.318,None,,,,,False,False,False,,-2.177,294.41,34,,18,7,InChI=1S/C15H21N6O12P/c22-1-5(23)7(14(26)27)19-15(28)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(33-13)2-32-34(29,30)31/h3-7,9-10,13,22-25H,1-2H2,(H,26,27)(H2,29,30,31)(H2,16,17,19,20,28)/p-2/t5?,6-,7?,9-,10-,13-/m1/s1,CSEXAYMULHGRCQ-HZPYULPISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,181,,,True,True,True,True,True,,,None,None
97,hydroxywybutosine,OHyW,2000034830G,nucleoside,Guanosine,⊆,None,C[n]1c2c(nc[n]2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n]2c1nc(C)c2CC(O)C(NC(OC)=O)C(OC)=O,Natural,C21H28N6O10,524.1867,524.481,525.1945,,,,393,False,False,False,,-2.5055,211.9,37,not applicable,16,5,InChI=1S/C21H28N6O10/c1-8-9(5-10(29)12(19(33)35-3)24-21(34)36-4)27-17(32)13-16(25(2)20(27)23-8)26(7-22-13)18-15(31)14(30)11(6-28)37-18/h7,10-12,14-15,18,28-31H,5-6H2,1-4H3,(H,24,34)/t10?,11-,12?,14-,15-,18-/m1/s1,OBCAXUIWCCSJPT-HSRLSWODSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,other,other,other,ring modification,,,,,,418,,True,True,True,True,True,HMDB0039126,,No,Yes
418,hydroxywybutosine-5'-monophosphate,pOHyW,2034830551G,nucleotide,Guanosine,⊆,None,COC(=O)NC(C(=O)OC)C(O)Cc1c(C)nc2[n](C)c3c(c(=O)[n]12)nc[n]3[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C21H27N6O13P,None,602.445,None,,,,,False,False,False,,-1.5121,273.9,41,,19,4,InChI=1S/C21H29N6O13P/c1-8-9(5-10(28)12(19(32)37-3)24-21(33)38-4)27-17(31)13-16(25(2)20(27)23-8)26(7-22-13)18-15(30)14(29)11(40-18)6-39-41(34,35)36/h7,10-12,14-15,18,28-30H,5-6H2,1-4H3,(H,24,33)(H2,34,35,36)/p-2/t10?,11-,12?,14-,15-,18-/m1/s1,MVCRZALXJBDOKF-HSRLSWODSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,97,,,True,True,True,True,True,,,None,None
113,inosine,I,2000000009A,nucleoside,Adenosine,I,6021,OC[C@@H]1[C@@H](O)[C@@H](O)[C@H]([n]2c3nc[nH]c(=O)c3nc2)O1,Natural,C10H12N4O5,268.0808,268.226,269.0886,0,95 (Kellner 2014, Kellner 2014),between U and G (Kellner 2014, Kellner 2014),904,905,906,137,False,False,False,,-2.2689,133.49,19,not applicable,8,4,InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1,UGQMRVRMYYASKQ-KQYNXXCUSA-N,True,True,True,True,True,True,True,True,True,True,other,tRNA,Eubacteria,Eukaryota,,,,217,,True,True,True,True,True,HMDB0000195,NOS,No,Yes
217,inosine-5'-monophosphate,pI,2000009551A,nucleotide,Adenosine,I,None,O[C@H]1[C@@H](O)[C@H]([n]2c3ncnc(=O)c3nc2)O[C@@H]1COP(=O)([O-])[O-],Natural,C10H10N4O8P,None,345.182,None,,,,,False,False,False,,-1.5586,179.17,23,not aplicable,11,2,InChI=1S/C10H12N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1,GBRQNNWXTJXSJL-KQYNXXCUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,113,,,False,False,False,False,False,,I,No,Yes
237,isocytidine-5'-monophosphate,IC,,nucleotide,Cytidine,㐳,49867142,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C(N)=NC(=O)C=C1)(=O)[O-],Unnatural,C9H14N3O8P,None,321.181,None,None,None,,None,False,False,False,,-2.446,177.36,35,not aplicable,11,3,InChI=1S/C9H14N3O8P/c10-9-11-5(13)1-2-12(9)8-7(15)6(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14-15H,3H2,(H2,10,11,13)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1,ONSQLDCEJIIUJS-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,IC,No,Yes
236,isoguanosine-5'-monophosphate,IG,,nucleotide,Adenosine,㐾,14212362,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2C1=NC(=O)NC=2N)(=O)[O-],Unnatural,C10H14N5O8P,None,361.205,None,,,,,False,False,False,,-2.569699999999999,206.04,38,not aplicable,12,4,InChI=1S/C10H14N5O8P/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1,CGCGQFDYTLYDPF-UUOKFMHZSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,IG,No,Yes
89,isowyosine,imG2,2000000042G,nucleoside,Guanosine,⊇,None,Cc1nc2[nH]c3c(c(=O)[n]2c1C)nc[n]3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Natural,C14H17N5O5,335.123,335.315,336.1308,,,,204,False,False,False,,-1.3994,137.9,24,not applicable,9,4,InChI=1S/C14H17N5O5/c1-5-6(2)19-12(23)8-11(17-14(19)16-5)18(4-15-8)13-10(22)9(21)7(3-20)24-13/h4,7,9-10,13,20-22H,3H2,1-2H3,(H,16,17)/t7-,9-,10-,13-/m1/s1,BINGDNLMMYSZFR-QYVSTXNMSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,ring modification,,,,,,419,,True,True,True,True,True,HMDB0000195,,No,Yes
419,isowyosine-5'-monophosphate,pimG2,2000042551G,nucleotide,Guanosine,⊇,None,Cc1nc2[nH]c3c(c(=O)[n]2c1C)nc[n]3[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C14H16N5O8P,None,413.279,None,,,,,False,False,False,,-0.406,199.9,28,,12,3,InChI=1S/C14H18N5O8P/c1-5-6(2)19-12(22)8-11(17-14(19)16-5)18(4-15-8)13-10(21)9(20)7(27-13)3-26-28(23,24)25/h4,7,9-10,13,20-21H,3H2,1-2H3,(H,16,17)(H2,23,24,25)/p-2/t7-,9-,10-,13-/m1/s1,UWKBVZFXAGNLCI-QYVSTXNMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,89,,,True,True,True,True,True,,,None,None
90,mannosyl-queuosine,manQ,2000000106G,nucleoside,Guanosine,8,None,Nc1nc(=O)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)cc2CN[C@@H]2[C@@H](O[C@H]3C(O)[C@H](O)[C@H](O)C(CO)O3)[C@@H](O)C=C2)n1,Natural,C23H32N5O12,571.2126,570.526,572.2204,,,,440,False,False,False,,-4.9954,261.94,40,not applicable,16,10,InChI=1S/C23H32N5O12/c24-23-26-19-12(20(37)27-23)7(4-28(19)21-16(35)14(33)10(5-29)38-21)3-25-8-1-2-9(31)18(8)40-22-17(36)15(34)13(32)11(6-30)39-22/h1-2,4,8-11,13-18,21-22,25,29-36H,3,5-6H2,(H2,24,26)/t8-,9-,10+,11?,13+,14+,15+,16+,17?,18+,21+,22-/m0/s1,DYJPVJAAXMMLOM-QGVCISOZSA-N,True,True,True,True,True,True,True,True,True,True,glycosyl group,tRNA,Eukaryota,,,,420,384,True,True,True,True,True,HMDB0011596,,No,Yes
420,mannosyl-queuosine-5'-monophosphate,pmanQ,2000106551G,nucleotide,Guanosine,8,None,Nc1nc2c(c(CN[C@H]3C=C[C@H](O)[C@@H]3O[C@@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c[n]2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1,Natural,C23H32N5O15P,None,649.498,None,,,,,False,False,False,,-3.5422,340.26,44,,19,10,InChI=1S/C23H34N5O15P/c24-23-26-19-12(20(36)27-23)7(4-28(19)21-16(34)14(32)11(41-21)6-40-44(37,38)39)3-25-8-1-2-9(30)18(8)43-22-17(35)15(33)13(31)10(5-29)42-22/h1-2,4,8-11,13-18,21-22,25,29-35H,3,5-6H2,(H2,37,38,39)(H3,24,26,27,36)/p-2/t8-,9-,10?,11+,13+,14+,15+,16+,17?,18+,21+,22-/m0/s1,RFOZFZSQDFTCLH-QHJSWZIOSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,90,,,True,True,True,True,True,,,None,None
160,methylated undermodified hydroxywybutosine,OHyWy,2000003480G,nucleoside,Guanosine,y,None,C[n]1c2nc(C)c(CC(O)C(N)C(OC)=O)[n]2c(=O)c2nc[n]([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12,Natural,C19H26N6O8,466.1812,466.445,467.189,,,,335,False,False,False,,-2.5934,199.59,33,not applicable,14,5,InChI=1S/C19H26N6O8/c1-7-8(4-9(27)11(20)18(31)32-3)25-16(30)12-15(23(2)19(25)22-7)24(6-21-12)17-14(29)13(28)10(5-26)33-17/h6,9-11,13-14,17,26-29H,4-5,20H2,1-3H3/t9?,10-,11?,13-,14-,17-/m1/s1,XFJZMRUIJLAZOK-HTICZZFASA-N,True,True,True,True,True,True,True,True,True,True,,,,,,,421,,True,True,True,True,True,HMDB0039126,,No,Yes
421,methylated undermodified hydroxywybutosine-5'-monophosphate,pOHyWy,2003480551G,nucleotide,Guanosine,y,None,COC(=O)C(N)C(O)Cc1c(C)nc2[n](C)c3c(c(=O)[n]12)nc[n]3[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C19H25N6O11P,None,544.409,None,,,,,False,False,False,,-1.6,261.59,37,,17,4,InChI=1S/C19H27N6O11P/c1-7-8(4-9(26)11(20)18(30)34-3)25-16(29)12-15(23(2)19(25)22-7)24(6-21-12)17-14(28)13(27)10(36-17)5-35-37(31,32)33/h6,9-11,13-14,17,26-28H,4-5,20H2,1-3H3,(H2,31,32,33)/p-2/t9?,10-,11?,13-,14-,17-/m1/s1,SOSQGOOEFQOYTB-HTICZZFASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,160,,,True,True,True,True,True,,,None,None
59,methylwyosine,mimG,2000000342G,nucleoside,Guanosine,∑,None,Cc1c(C)[n]2c([n](c3c(c2=O)nc[n]3[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)C)n1,Natural,C15H19N5O5,349.1386,349.342,350.1464,,,,218,False,False,False,,-1.389,127.04,25,not applicable,10,3,InChI=1S/C15H19N5O5/c1-6-7(2)20-13(24)9-12(18(3)15(20)17-6)19(5-16-9)14-11(23)10(22)8(4-21)25-14/h5,8,10-11,14,21-23H,4H2,1-3H3/t8-,10-,11-,14-/m1/s1,HOEIPINIBKBXTJ-IDTAVKCVSA-N,True,True,True,True,True,True,True,True,True,True,methyl group,methyl group,ring modification,,,,,,365,,False,False,True,True,True,HMDB0003950,,No,Yes
365,methylwyosine-5'-monophosphate,pmimG,2000342551G,nucleotide,Guanosine,∑,None,Cc1nc2[n](C)c3c(c(=O)[n]2c1C)nc[n]3[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C15H18N5O8P,None,427.306,None,,,,,False,False,False,,-0.3956,189.04,29,,13,2,InChI=1S/C15H20N5O8P/c1-6-7(2)20-13(23)9-12(18(3)15(20)17-6)19(5-16-9)14-11(22)10(21)8(28-14)4-27-29(24,25)26/h5,8,10-11,14,21-22H,4H2,1-3H3,(H2,24,25,26)/p-2/t8-,10-,11-,14-/m1/s1,KDDSJAGMORQKQK-IDTAVKCVSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,59,,,False,False,True,True,True,,,None,None
121,peroxywybutosine,o2yW,2000034832G,nucleoside,Guanosine,W,None,C[n]1c2c(nc[n]2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n]2c1nc(C)c2CC(OO)C(NC(OC)=O)C(OC)=O,Natural,C21H28N6O11,540.1816,540.481,541.1894,,,,409,False,False,False,,-2.0082,221.13,38,not applicable,17,5,InChI=1S/C21H28N6O11/c1-8-9(5-10(38-34)12(19(32)35-3)24-21(33)36-4)27-17(31)13-16(25(2)20(27)23-8)26(7-22-13)18-15(30)14(29)11(6-28)37-18/h7,10-12,14-15,18,28-30,34H,5-6H2,1-4H3,(H,24,33)/t10?,11-,12?,14-,15-,18-/m1/s1,WCNMEQDMUYVWMJ-HSRLSWODSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,other,other,other,ring modification,tRNA,,,Putative.,,422,,True,True,True,True,True,HMDB0039126,,No,Yes
422,peroxywybutosine-5'-monophosphate,po2yW,2034832551G,nucleotide,Queuosine (QtRNA),W,None,COC(=O)NC(C(=O)OC)C(Cc1c(C)nc2[n](C)c3c(c(=O)[n]12)nc[n]3[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OO,Natural,C21H27N6O14P,None,618.445,None,,,,,False,False,False,,-1.0148,283.13,42,,20,4,InChI=1S/C21H29N6O14P/c1-8-9(5-10(41-33)12(19(31)37-3)24-21(32)38-4)27-17(30)13-16(25(2)20(27)23-8)26(7-22-13)18-15(29)14(28)11(40-18)6-39-42(34,35)36/h7,10-12,14-15,18,28-29,33H,5-6H2,1-4H3,(H,24,32)(H2,34,35,36)/p-2/t10?,11-,12?,14-,15-,18-/m1/s1,HLJVOGBHTZADSI-HSRLSWODSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,121,,,True,True,True,True,True,,,No,Yes
118,pseudouridine,Y,2000000009U,nucleoside,Uridine,P,15047,OC[C@H]1O[C@@H](c2c[nH]c(=O)[nH]c2=O)[C@H](O)[C@@H]1O,Natural,C9H12N2O6,244.0695,244.201,245.0773,0,34 (Kellner 2014); 0,37 (Kellner 2014),before C (Kellner 2014),904,905,906,209/179/155,False,False,False,,-2.7828,135.64,17,not applicable,6,5,InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1,PTJWIQPHWPFNBW-GBNDHIKLSA-N,True,True,True,True,True,True,True,True,True,True,ring modification,rRNA,snRNA,snoRNA,tRNA,Archaea,Eubacteria,Eukaryota,,It is called pseudouridine because the ring structure is the same as in U, just attached by a different atom.,,185,,True,True,True,True,True,HMDB0000767,HMDB0000767,FJF,No,Yes
185,pseudouridine-5'-monophosphate,pY,2000009551U,nucleotide,Uridine,P,None,O=c1[nH]cc([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1,Natural,C9H11N2O9P,None,322.165,None,,,,,False,False,False,,-1.7894,197.64,21,not aplicable,9,4,InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/p-2/t4-,5-,6-,7+/m1/s1,MOBMOJGXNHLLIR-GBNDHIKLSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,118,,,True,True,True,True,True,,PSU,No,Yes
221,purine riboside-5'-monophosphate,P5P,,nucleotide,Unknown,㐣,444450,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2)(=O)[O-],Unnatural,C10H13N4O7P,None,330.191,None,,,,,False,False,False,,-1.4452000000000005,160.04999999999998,35,not aplicable,11,2,InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/p-2/t6-,7-,8-,10-/m1/s1,MCWDCZIDTUQRHK-FDDDBJFASA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,P5P,No,Yes
290,puromycin-5'-monophosphate,PPU,,nucleotide,Adenosine,㐤,446782,[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1NC([C@@H](N)Cc1ccc(OC)cc1)=O)[n]1c[n]c2c1[n]c[n]c2N(C)C)(=O)[O-],Unnatural,C22H30N7O8P,None,549.474,None,None,None,,None,False,False,False,,-0.6766999999999971,207.41,68,not aplicable,15,3,InChI=1S/C22H30N7O8P/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(30)16(15(37-22)9-36-38(32,33)34)27-21(31)14(23)8-12-4-6-13(35-3)7-5-12/h4-7,10-11,14-16,18,22,30H,8-9,23H2,1-3H3,(H,27,31)(H2,32,33,34)/p-2/t14-,15+,16+,18+,22+/m0/s1,NYICMZBLMICLBS-NVWDDTSBSA-L,True,True,True,True,True,True,True,True,True,True,,,,,None,,,,True,True,True,True,True,,PPU,No,Yes
105,queuine,Qbase,2000010000G,base,Guanosine,∴,None,NC1NC(=O)c2c(c[nH]c2N=1)CN[C@@H]1[C@@H](O)[C@@H](O)C=C1,Natural,C12H15N5O3,277.1175,277.279,278.1253,,,,146,False,False,False,,-0.4447,140.05,20,not applicable,6,6,InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1,WYROLENTHWJFLR-ACLDMZEESA-N,True,True,True,True,True,True,True,True,True,True,other,,,,,65,,,True,True,True,True,True,HMDB0001495,QEI,No,Yes
65,queuosine,Q,2000000010G,nucleoside,Guanosine,Q,None,Nc1[nH]c(=O)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)cc2CN[C@@H]2[C@@H](O)[C@@H](O)C=C2)n1,Natural,C17H23N5O7,409.1597,409.394,410.1675,3,40 (Kellner 2014),after m6A (Kellner 2014),904,295/163,False,False,False,,-2.3598,199.11,29,not applicable,11,8,InChI=1S/C17H23N5O7/c18-17-20-14-10(15(28)21-17)6(3-19-7-1-2-8(24)11(7)25)4-22(14)16-13(27)12(26)9(5-23)29-16/h1-2,4,7-9,11-13,16,19,23-27H,3,5H2,(H3,18,20,21,28)/t7-,8-,9+,11+,12+,13+,16+/m0/s1,QQXQGKSPIMGUIZ-AEZJAUAXSA-N,True,True,True,True,True,True,True,True,True,True,other,tRNA,Eubacteria,Eukaryota,,,,423,,True,True,True,True,True,HMDB0011596,,No,Yes
423,queuosine-5'-monophospate,pQ,2000042551G,nucleotide,Guanosine,Q,None,Nc1nc2c(c(CN[C@H]3C=C[C@H](O)[C@@H]3O)c[n]2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1,Natural,C17H22N5O10P,None,487.358,None,,,,,False,False,False,,-1.3664,261.11,33,,14,7,InChI=1S/C17H24N5O10P/c18-17-20-14-10(15(27)21-17)6(3-19-7-1-2-8(23)11(7)24)4-22(14)16-13(26)12(25)9(32-16)5-31-33(28,29)30/h1-2,4,7-9,11-13,16,19,23-26H,3,5H2,(H2,28,29,30)(H3,18,20,21,27)/p-2/t7-,8-,9+,11+,12+,13+,16+/m0/s1,BSABGNSIPKXNDL-AEZJAUAXSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,65,,,True,True,True,True,True,,56B,None,None
93,undermodified hydroxywybutosine,OHyWx,2000003470G,nucleoside,Guanosine,š,None,C[n]1c2c(nc[n]2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n]2c1nc(C)c2CC(O)C(N)C(O)=O,Natural,C18H24N6O8,452.1655,452.419,453.1733,,,,321,False,False,False,,-2.6818,210.59,32,not applicable,14,6,InChI=1S/C18H24N6O8/c1-6-7(3-8(26)10(19)17(30)31)24-15(29)11-14(22(2)18(24)21-6)23(5-20-11)16-13(28)12(27)9(4-25)32-16/h5,8-10,12-13,16,25-28H,3-4,19H2,1-2H3,(H,30,31)/t8?,9-,10?,12-,13-,16-/m1/s1,CWZGXBPVGJVJRZ-HVTQDKDVSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,other,ring modification,,,,,,424,,True,True,True,True,True,HMDB0039126,,No,Yes
424,undermodified hydroxywybutosine-5'-monophospate,pOHyWx,2003470551G,nucleotide,Guanosine,š,None,Cc1nc2[n](C)c3c(c(=O)[n]2c1CC(O)C(N)C(=O)O)nc[n]3[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,Natural,C18H23N6O11P,None,530.383,None,,,,,False,False,False,,-1.6884,272.59,36,,17,5,InChI=1S/C18H25N6O11P/c1-6-7(3-8(25)10(19)17(29)30)24-15(28)11-14(22(2)18(24)21-6)23(5-20-11)16-13(27)12(26)9(35-16)4-34-36(31,32)33/h5,8-10,12-13,16,25-27H,3-4,19H2,1-2H3,(H,29,30)(H2,31,32,33)/p-2/t8?,9-,10?,12-,13-,16-/m1/s1,XWKBVEUABODVJJ-HVTQDKDVSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,93,,,True,True,True,True,True,,,None,None
165,unknown 5' monophosphate ribonucleotide,pN,2000000551N,nucleotide,Adenosine, Cytidine, Guanosine, Uridine,m,None,O[C@@H]1[C@H](O)[C@@H](COP([O-])([O-])=O)O[C@@H]%911.[*]%91,Natural,C5H8O7P,288.9514,211.087,None,,,,,False,False,False,,-0.612,131.92,14,unspecified residue,7,2,None,None,True,True,True,True,True,True,True,True,True,True,,,Eukaryota,,,,,,False,False,True,True,True,HMDB0001548,,No,Yes
98,unknown modification,xX,2000000000X,nucleoside,Unknown,Ѯ,None,-,Natural,,0.0,0.0,None,None,None,,None,False,False,False,,None,None,None,unknown residue, modification present but its character is unknown,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,rRNA,Eubacteria,,,,,,False,False,False,False,False,,,No,Yes
72,unknown modified adenosine,xA,2000000999A,nucleoside,Adenosine,H,None,,Natural,,0.0,0.0,None,,,,,False,False,False,,None,None,None,unknown modification,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,rRNA,tRNA,,,,,,,False,False,False,False,False,,,No,Yes
70,unknown modified cytidine,xC,2000000999C,nucleoside,Cytidine,Ѵ,None,-,Natural,,0.0,0.0,None,None,None,,None,False,False,False,,None,None,None,unknown modification,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,rRNA,tRNA,,,,,,,False,False,False,False,False,,,No,Yes
66,unknown modified guanosine,xG,2000000999G,nucleoside,Guanosine,ʆ,None,-,Natural,,0.0,0.0,None,None,None,,None,False,False,False,,None,None,None,unknown modification,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,rRNA,tRNA,,,,,,,False,False,False,False,False,,,No,Yes
76,unknown modified uridine,xU,2000000999U,nucleoside,Uridine,N,None,-,Natural,,0.0,0.0,None,None,None,,None,False,False,False,,None,None,None,unknown modification,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,rRNA,snRNA,tDNA,tRNA,,,,,,,False,False,False,False,False,,,No,Yes
25,unknown nucleoside 2'-O-methylated,Xm,2000000090X,nucleoside,Unknown,Ѩ,None,-,Natural,,0.0,0.0,None,,,,,False,False,False,,None,None,None,unknown base, ribose 2'-O-methylated,None,None,None,None,False,True,True,True,True,True,True,True,True,True,,miRNA,rRNA,undefined RNA,Eubacteria,,,,,,False,False,False,False,False,,,No,Yes
314,uracil arabinose-5'-phosphate,UAR,,nucleotide,Uridine,㑔,18817,[O-]P(OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1C(NC(=O)C=C1)=O)(=O)[O-],Unnatural,C9H13N2O9P,None,321.157,None,,,,,False,False,False,,-2.734899999999999,171.31,34,not aplicable,10,2,InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7+,8-/m1/s1,DJJCXFVJDGTHFX-CCXZUQQUSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,UAR,No,Yes
60,uridine,U,U,nucleoside,Uridine,U,6029,OC[C@H]1O[C@@H]([n]2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O,Natural,C9H12N2O6,244.0695,244.201,245.0773,0.58,,,113,False,False,False,,-2.8519,124.78,17,not applicable,7,4,InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1,DRTQHJPVMGBUCF-XVFCMESISA-N,True,True,True,True,True,True,True,True,True,True,,rRNA,tRNA,Archaea,Eubacteria,Eukaryota,,,,255,,True,True,True,True,True,HMDB0000296,HMDB0000296,URI,No,Yes
224,uridine 5'-monothiophosphate,U37,,nucleotide,Uridine,㑕,10404968,O[C@@H]1[C@@H](COP(=O)([S-])[O-])O[C@@H](N2C(=O)NC(=O)C=C2)[C@@H]1O,Unnatural,C9H13N2O8PS,None,338.231,None,,,,,False,False,False,,-1.7974,151.08,34,not aplicable,10,3,InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/p-2/t4-,6-,7-,8-/m1/s1,NSEBKRRODBXALJ-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,,,,True,True,True,True,True,,U37,No,Yes
47,uridine 5-oxyacetic acid,cmo5U,2000000502U,nucleoside,Uridine,V,193091,OC[C@@H]1[C@@H](O)[C@@H](O)[C@H]([n]2c(=O)[nH]c(=O)c(OCC(=O)O)c2)O1,Natural,C11H14N2O9,318.0699,318.237,319.0777,0,54 (Kellner 2014),between C and U (Kellner 2014),904,187/169/141,False,False,False,,-3.3885,171.31,22,not applicable,10,5,InChI=1S/C11H14N2O9/c14-2-5-7(17)8(18)10(22-5)13-1-4(21-3-6(15)16)9(19)12-11(13)20/h1,5,7-8,10,14,17-18H,2-3H2,(H,15,16)(H,12,19,20)/t5-,7-,8-,10-/m1/s1,RVCNQQGZJWVLIP-VPCXQMTMSA-N,True,True,True,True,True,True,True,True,True,True,other,other,tRNA,Eubacteria,,Earlier called the V nucleoside. Base pairs with A, G and U in mRNA.
cmo5U (and mcmo5U) is a modification characteristic for gram negative bacteria (E. coli, Protebacteria). Gram positive bacteria (B. subtilis, Firmicutes) have mo5U in this position.,,241,348,371,True,True,True,True,True,HMDB0000296,,No,Yes
58,uridine 5-oxyacetic acid methyl ester,mcmo5U,2000000503U,nucleoside,Uridine,υ,191808,COC(COc1c[n](C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O)=O,Natural,C12H16N2O9,332.0856,332.263,333.0934,1,47 (Kellner 2014),between A and m6A (Kellner 2014),904,183/201/297/315/129,False,False,False,,-3.3001,160.31,23,not applicable,10,4,InChI=1S/C12H16N2O9/c1-21-7(16)4-22-5-2-14(12(20)13-10(5)19)11-9(18)8(17)6(3-15)23-11/h2,6,8-9,11,15,17-18H,3-4H2,1H3,(H,13,19,20)/t6-,8-,9-,11?/m1/s1,WZRYXYRWFAPPBJ-ABHRNEANSA-N,True,True,True,True,True,True,True,True,True,True,other,other,other,tRNA,Eubacteria,,Unstable under usual methods of detection, not easily detectable (Glenn Bjork, personal communication).
cmo5U (and mcmo5U) is a modification characteristic for gram negative bacteria (E. coli, Protebacteria). Gram positive bacteria (B. subtilis, Firmicutes) have mo5U in this position.,,425,352,True,True,True,True,True,HMDB0000296,,No,Yes
425,uridine 5-oxyacetic acid methyl ester-5'-monophospate,pmcmo5U,2000503551U,nucleotide,Uridine,υ,None,COC(=O)COc1c[n](C2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O,Natural,C12H15N2O12P,None,410.227,None,,,,,False,False,False,,-2.3067,222.31,27,,13,3,InChI=1S/C12H17N2O12P/c1-23-7(15)4-24-5-2-14(12(19)13-10(5)18)11-9(17)8(16)6(26-11)3-25-27(20,21)22/h2,6,8-9,11,16-17H,3-4H2,1H3,(H,13,18,19)(H2,20,21,22)/p-2/t6-,8-,9-,11?/m1/s1,OYUHHIACNHDMDJ-ABHRNEANSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,58,,,True,True,True,True,True,,,None,None
255,uridine-5'-monophosphate,pU,U,nucleotide,Uridine,U,None,O=c1cc[n]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1,Natural,C9H11N2O9P,None,322.165,None,,,,,False,False,False,,-1.8585,186.78,21,not aplicable,10,3,InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1,DJJCXFVJDGTHFX-XVFCMESISA-L,True,True,True,True,True,True,True,True,True,True,,,,,,60,,,True,True,True,True,True,,U5P,No,Yes
268,uridine-5'-monophosphate-2',3'-cyclic phosphate,pU2'3'cp,2003377551U,nucleotide,Uridine,Ҋ,None,[O-]P1(O[C@H]2[C@@H](O[C@H](COP(=O)([O-])[O-])[C@H]2O1)N1C(NC(=O)C=C1)=O)=O,Natural,C9H9N2O11P2,None,383.122,None,None,None,,None,False,False,False,,-0.2577,214.72,24,not aplicable,12,1,InChI=1S/C9H12N2O11P2/c12-5-1-2-11(9(13)10-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H,10,12,13)(H2,14,15,16)/p-3/t4-,6-,7-,8-/m1/s1,PXHRDNPZBBFFEO-XVFCMESISA-K,True,True,True,True,True,True,True,True,True,True,,,,,None,60,,,True,True,True,True,True,,U23,No,Yes
30,wybutosine,yW,2000003483G,nucleoside,Guanosine,Y,None,COC(NC(C(OC)=O)CCc1[n]2c([n](c3c(c2=O)nc[n]3[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)C)nc1C)=O,Natural,C21H28N6O9,508.1918,508.482,509.1996,2,93 (Kellner 2014),after m6A (Kellner 2014),904,377,False,False,False,,-1.4763,191.67,36,not applicable,15,4,InChI=1S/C21H28N6O9/c1-9-11(6-5-10(19(32)34-3)24-21(33)35-4)27-17(31)13-16(25(2)20(27)23-9)26(8-22-13)18-15(30)14(29)12(7-28)36-18/h8,10,12,14-15,18,28-30H,5-7H2,1-4H3,(H,24,33)/t10?,12-,14-,15-,18-/m1/s1,QAOHCFGKCWTBGC-BTBIENRZSA-N,True,True,True,True,True,True,True,True,True,True,aminoacyl group,other,other,ring modification,rRNA,tRNA,Eukaryota,,,,244,307,308,309,True,True,True,True,True,HMDB0039126,,No,Yes
213,wybutosine-5'-monophosphate,pyW,2003483551G,nucleotide,Guanosine,Y,None,COC(N[C@@H](C(OC)=O)CCc1[n]2c([n](c3c(c2=O)nc[n]3[C@H]2[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C)nc1C)=O,Natural,C21H27N6O12P,None,586.446,None,,,,,False,False,False,,-0.4829,253.67,40,not aplicable,18,3,InChI=1S/C21H29N6O12P/c1-9-11(6-5-10(19(31)36-3)24-21(32)37-4)27-17(30)13-16(25(2)20(27)23-9)26(8-22-13)18-15(29)14(28)12(39-18)7-38-40(33,34)35/h8,10,12,14-15,18,28-29H,5-7H2,1-4H3,(H,24,32)(H2,33,34,35)/p-2/t10-,12-,14-,15-,18-/m1/s1,WOMRPCAFQVCGCI-DPHITLOKSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,30,,,True,True,True,True,True,,YG,No,Yes
244,wybutosine[C15(S)]-5'-monophosphate,pyyW,2034831551G,nucleotide,Guanosine,ϓ,None,COC(N[C@H](C(OC)=O)CCc1[n]2c([n](c3c(c2=O)nc[n]3[C@H]2[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C)nc1C)=O,Natural,C21H27N6O12P,None,586.446,None,,,,,False,False,False,,-0.4829,253.67,40,not aplicable,18,3,InChI=1S/C21H29N6O12P/c1-9-11(6-5-10(19(31)36-3)24-21(32)37-4)27-17(30)13-16(25(2)20(27)23-9)26(8-22-13)18-15(29)14(28)12(39-18)7-38-40(33,34)35/h8,10,12,14-15,18,28-29H,5-7H2,1-4H3,(H,24,32)(H2,33,34,35)/p-2/t10-,12+,14+,15+,18+/m0/s1,WOMRPCAFQVCGCI-QHOAOGIMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,30,,,True,True,True,True,True,,YYG,No,Yes
139,wyosine,imG,2000000034G,nucleoside,Guanosine,€,None,C[n]1c2c(nc[n]2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n]2cc(C)nc12,Natural,C14H17N5O5,335.123,335.315,336.1308,,,,204,False,False,False,,-1.6974,127.04,24,not applicable,10,3,InChI=1S/C14H17N5O5/c1-6-3-18-12(23)8-11(17(2)14(18)16-6)19(5-15-8)13-10(22)9(21)7(4-20)24-13/h3,5,7,9-10,13,20-22H,4H2,1-2H3/t7-,9-,10-,13-/m1/s1,JCZSFCLRSONYLH-QYVSTXNMSA-N,True,True,True,True,True,True,True,True,True,True,,,,,,,426,306,False,False,True,True,True,HMDB0003950,,No,Yes
426,wyosine-5'-monophospate,pimG,2000034551G,nucleotide,Guanosine,€,None,Cc1c[n]2c(=O)c3nc[n]([C@@H]4O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]4O)c3[n](C)c2n1,Natural,C14H16N5O8P,None,413.279,None,,,,,False,False,False,,-0.704,189.04,28,,13,2,InChI=1S/C14H18N5O8P/c1-6-3-18-12(22)8-11(17(2)14(18)16-6)19(5-15-8)13-10(21)9(20)7(27-13)4-26-28(23,24)25/h3,5,7,9-10,13,20-21H,4H2,1-2H3,(H2,23,24,25)/p-2/t7-,9-,10-,13-/m1/s1,LLRKVYUVIRUULP-QYVSTXNMSA-L,True,True,True,True,True,True,True,True,True,True,,,,,,139,,,False,False,True,True,True,,,None,None