 | | 2AR | | Name: | 2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE | | Formula: | C11 H16 N5 O5 P | | SMILES: | O=P(O)(O)OCC3CC(n1c2ncnc(c2nc1)N)CC3O | | InChi: | InChI=1S/C11H16N5O5P/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(8(17)2-7)3-21-22(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m1/s1 | | Synonyms: | [ADENIN-9-YL-3-HYDROXY-CYCLOPENTAN-5-YL]-METHYL-5'-PHOSPHATE | | Definition date: | 2000-05-04 | | Last modified: | 2021-03-01 | | Identifier: | [(1R,2S,4R)-4-(6-amino-9H-purin-9-yl)-2-hydroxycyclopentyl]methyl dihydrogen phosphate |
|
 | | GBJ | | Name: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol | | Formula: | C20 H20 O4 | | SMILES: | O4c2c1C=CC(Oc1ccc2CC(c3ccc(O)cc3O)C4)(C)C | | InChi: | InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1 | | Synonyms: | glabridin | | Definition date: | 2013-10-24 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-19 | | Identifier: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol |
|
 | | GBL | | Name: | GAMMA-BUTYROLACTONE | | Formula: | C4 H6 O2 | | SMILES: | O=C1OCCC1 | | InChi: | InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2 | | Synonyms: | DIHYDROFURAN-2(3H)-ONE | | Definition date: | 2006-01-04 | | Last modified: | 2021-03-01 | | Identifier: | dihydrofuran-2(3H)-one |
|
 | | GBO | | Name: | (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate | | Formula: | C20 H35 N3 O9 P2 S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NCC(=C/CCC(=C/COP(=O)(O)OP(=O)(O)O)/C)/C | | InChi: | InChI=1S/C20H35N3O9P2S/c1-14(10-11-31-34(29,30)32-33(26,27)28)6-5-7-15(2)12-21-18(24)9-4-3-8-17-19-16(13-35-17)22-20(25)23-19/h7,10,16-17,19H,3-6,8-9,11-13H2,1-2H3,(H,21,24)(H,29,30)(H2,22,23,25)(H2,26,27,28)/b14-10+,15-7+/t16-,17-,19-/m0/s1 | | Synonyms: | Biotin-GPP | | Definition date: | 2008-10-15 | | Last modified: | 2021-03-01 | | Identifier: | (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate |
|
 | | GBX | | Name: | 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID | | Formula: | C30 H27 N3 O9 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c2c1ccc5c4c1c(cc2C(=O)C(=O)C3O)ccc4ccc5 | | InChi: | InChI=1S/C30H27N3O9S/c31-18(30(41)42)8-9-20(34)33-19(29(40)32-11-21(35)36)12-43-28-24-16-7-6-14-3-1-2-13-4-5-15(23(16)22(13)14)10-17(24)25(37)26(38)27(28)39/h1-7,10,18-19,27-28,39H,8-9,11-12,31H2,(H,32,40)(H,33,34)(H,35,36)(H,41,42)/t18-,19-,27-,28-/m0/s1 | | Synonyms: | GLUTATHIONE CONJUGATE OF (+)-ANTI-BPDE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | L-gamma-glutamyl-S-[(9S,10S)-9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]-L-cysteinylglycine |
|
 | | GCZ | | Name: | N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide | | Formula: | C15 H21 N3 O3 S | | SMILES: | O=C(NN2CC1CCCC1C2)NS(=O)(=O)c3ccc(cc3)C | | InChi: | InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)/t12-,13+ | | Synonyms: | gliclazide | | Definition date: | 2015-04-30 | | Last modified: | 2021-03-01 | | Release date: | 2015-11-25 | | Identifier: | N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide |
|
 | | GD4 | | Name: | (5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione | | Formula: | C24 H27 N O5 S | | SMILES: | C1C(Oc2c(C1)c(C)c(O)c(c2C)C)(COc3ccc(cc3)CC4SC(NC4=O)=O)C | | InChi: | InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24+/m0/s1 | | Synonyms: | Troglitazone (isoform) | | Definition date: | 2018-05-18 | | Last modified: | 2021-03-01 | | Release date: | 2019-05-22 | | Identifier: | (5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione |
|
 | | GDU | | Name: | GALACTOSE-URIDINE-5'-DIPHOSPHATE | | Formula: | C15 H24 N2 O17 P2 | | SMILES: | O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | | InChi: | InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1 | | Synonyms: | UDP-D-GALACTOPYRANOSE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
|
 | | GDZ | | Name: | 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one | | Formula: | C21 H21 F N6 O | | SMILES: | CN1CCN(CC1)C2=CN3C(=O)C=C(N=C3C=C2)c4cn5cc(C)nc5c(F)c4 | | InChi: | InChI=1S/C21H21FN6O/c1-14-11-27-12-15(9-17(22)21(27)23-14)18-10-20(29)28-13-16(3-4-19(28)24-18)26-7-5-25(2)6-8-26/h3-4,9-13H,5-8H2,1-2H3 | | Synonyms: | SMN-C5 | | Definition date: | 2018-09-12 | | Last modified: | 2021-03-01 | | Release date: | 2019-08-14 | | Identifier: | 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one |
|
 | | GEQ | | Name: | 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE | | Formula: | C26 H23 N3 O | | SMILES: | O=C(N4CCN(C3c1c(cccc1)c2ccccc23)CC4)c6ccc5nccc5c6 | | InChi: | InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2 | | Synonyms: | GENZ-10850 | | Definition date: | 2003-08-30 | | Last modified: | 2021-03-01 | | Identifier: | 5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H-indole |
|
 | | GFL | | Name: | 2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE | | Formula: | C10 H13 F N5 O7 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3F)COP(=O)(O)O | | InChi: | InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,6-,9-/m1/s1 | | Synonyms: | 2'-FLUORO-2-DEOXY-GUANOSINE-5'-MONOPHOSPHATE | | Definition date: | 2006-09-07 | | Last modified: | 2021-03-01 | | Identifier: | 2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one |
|
 | | GGM | | Name: | 3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate | | Formula: | C18 H24 N7 O14 P3 | | SMILES: | O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)C(O)C4OC(=O)c3ccccc3NC | | InChi: | InChI=1S/C18H24N7O14P3/c1-20-9-5-3-2-4-8(9)17(28)38-13-10(6-36-42(34,35)39-41(32,33)24-40(29,30)31)37-16(12(13)26)25-7-21-11-14(25)22-18(19)23-15(11)27/h2-5,7,10,12-13,16,20,26H,6H2,1H3,(H,34,35)(H3,19,22,23,27)(H4,24,29,30,31,32,33)/t10-,12-,13-,16-/m1/s1 | | Synonyms: | MANT-GMPPNP | | Definition date: | 2011-08-03 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-[2-(methylamino)benzoyl]guanosine |
|
 | | GHA | | Name: | 1'-((1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL)-4-N-AMMONIUM)-1'-DEOXY-L-ERYTHRITOL-3'-SULFATE INNER SALT | | Formula: | C9 H18 N O9 S | | SMILES: | [O-]S([O-])([O-])OC(C(O)CN1C(C(O)C(O)C1)CO)CO | | InChi: | InChI=1S/C9H21NO9S/c11-3-5-9(15)7(14)2-10(5)1-6(13)8(4-12)19-20(16,17)18/h5-9,11-18H,1-4H2/p-3/t5-,6-,7-,8?,9-/m1/s1 | | Synonyms: | GHAVAMIOL | | Definition date: | 2004-06-22 | | Last modified: | 2021-03-01 | | Identifier: | ({[(1S,2R)-3-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide |
|
 | | GJY | | Name: | methyl-9Z,12Z,15Z-octadecatrienylphosphonofluoridate | | Formula: | C19 H34 F O2 P | | SMILES: | O=P(OC)(F)CCCCCCCCC=C/CC=C/C[C@H]=[C@H]CC | | InChi: | InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h4-5,7-8,10-11H,3,6,9,12-19H2,1-2H3/b5-4-,8-7-,11-10-/t23-/m0/s1 | | Synonyms: | Methyl alpha-Linolenyl Fluorophosphonate (MLnFP) | | Definition date: | 2018-05-24 | | Last modified: | 2021-03-01 | | Release date: | 2019-03-27 | | Identifier: | methyl (S)-(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ylphosphonofluoridate |
|
 | | GKM | | Name: | 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C39 H52 N6 O9 S | | SMILES: | C4CC(C(N6CC(Oc2nc1cc(OC)ccc1nc2C)CC6C(NC3(C(C3)C=CCCC4)C(NS(C5(C)CC5)(=O)=O)=O)=O)=O)NC(OC7(C)CCCC7)=O | | InChi: | InChI=1S/C39H52N6O9S/c1-24-33(41-30-20-26(52-4)14-15-28(30)40-24)53-27-21-31-32(46)43-39(35(48)44-55(50,51)38(3)18-19-38)22-25(39)12-8-6-5-7-9-13-29(34(47)45(31)23-27)42-36(49)54-37(2)16-10-11-17-37/h8,12,14-15,20,25,27,29,31H,5-7,9-11,13,16-19,21-23H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,27-,29+,31+,39-/m1/s1 | | Synonyms: | P4-3(AJ-74) | | Definition date: | 2018-05-24 | | Last modified: | 2021-03-01 | | Release date: | 2019-07-31 | | Identifier: | 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
|
 | | GN0 | | Name: | (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one | | Formula: | C25 H23 Cl N2 O3 S2 | | SMILES: | OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4ccc(cc4)N5CCOCC5 | | InChi: | InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1 | | Synonyms: | inhibitor GNE-140 | | Definition date: | 2015-05-19 | | Last modified: | 2021-03-01 | | Release date: | 2016-05-18 | | Identifier: | (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one |
|
 | | NAI | | Name: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE | | Formula: | C21 H29 N7 O14 P2 | | SMILES: | NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | Synonyms: | NADH | | Definition date: | 1999-12-13 | | Last modified: | 2021-03-01 | | Identifier: | [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate |
|
 | | 7Z1 | | Name: | (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone | | Formula: | C29 H29 F N4 O2 | | SMILES: | CCOc1ccc(F)c(c1)[CH](Nc2ccc3c(N)nccc3c2)C(=O)N4CCC[CH]4c5ccccc5 | | InChi: | InChI=1S/C29H29FN4O2/c1-2-36-22-11-13-25(30)24(18-22)27(33-21-10-12-23-20(17-21)14-15-32-28(23)31)29(35)34-16-6-9-26(34)19-7-4-3-5-8-19/h3-5,7-8,10-15,17-18,26-27,33H,2,6,9,16H2,1H3,(H2,31,32)/t26-,27-/m1/s1 | | Synonyms: | 2-[(1-aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone | | Definition date: | 2016-12-13 | | Last modified: | 2021-03-01 | | Release date: | 2017-06-21 | | Identifier: | (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone |
|
 | | NC3 | | Name: | N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE | | Formula: | C9 H16 N2 O3 | | SMILES: | O=C(NC1CCCCC1)NCC(=O)O | | InChi: | InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14) | | Synonyms: | 4-(3-CYCLOHEXYLURIEDO)-ETHANOIC ACID | | Definition date: | 2005-04-21 | | Last modified: | 2021-03-01 | | Identifier: | N-(cyclohexylcarbamoyl)glycine |
|
 | | NC4 | | Name: | 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID | | Formula: | C11 H20 N2 O3 | | SMILES: | O=C(NC1CCCCC1)NCCCC(=O)O | | InChi: | InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16) | | Synonyms: | 4-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACID | | Definition date: | 2005-04-21 | | Last modified: | 2021-03-01 | | Identifier: | 4-[(cyclohexylcarbamoyl)amino]butanoic acid |
|
 | | NC6 | | Name: | 6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID | | Formula: | C13 H24 N2 O3 | | SMILES: | O=C(NC1CCCCC1)NCCCCCC(=O)O | | InChi: | InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18) | | Synonyms: | 4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID | | Definition date: | 2005-04-21 | | Last modified: | 2021-03-01 | | Identifier: | 6-[(cyclohexylcarbamoyl)amino]hexanoic acid |
|
 | | 7ZR | | Name: | 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide | | Formula: | C17 H15 N3 O6 S2 | | SMILES: | COc1ccc(cc1OC)[S](=O)(=O)Nc2scc(n2)c3cccc(c3)[N+]([O-])=O | | InChi: | InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19) | | Synonyms: | Ro 61-8048 | | Definition date: | 2017-02-23 | | Last modified: | 2021-03-01 | | Release date: | 2017-12-27 | | Identifier: | 3,4-dimethoxy-~{N}-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide |
|
 | | 801 | | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE | | Formula: | C13 H11 N5 O | | SMILES: | [O-]c3cccnc3c2nc1cc(ccc1n2)C(=[NH2+])N | | InChi: | InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18) | | Synonyms: | CRA_1801 | | Definition date: | 2003-03-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}pyridin-3-olate |
|
 | | 802 | | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-FLUOROBENZENOLATE | | Formula: | C14 H11 F N4 O | | SMILES: | Fc3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])cc3 | | InChi: | InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19) | | Synonyms: | CRA_1802 | | Definition date: | 2003-03-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-fluorophenolate |
|
 | | NDE | | Name: | ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'-5'-ESTER WITH 3-(AMINOCARBONYL)-4-(1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT | | Formula: | C24 H32 N7 O20 P3 | | SMILES: | NC(=O)c1c[n+](ccc1[CH](O)C(=O)CO[P](O)(O)=O)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C24H32N7O20P3/c25-20-14-22(28-7-27-20)31(8-29-14)24-19(37)17(35)13(50-24)6-48-54(44,45)51-53(42,43)47-5-12-16(34)18(36)23(49-12)30-2-1-9(10(3-30)21(26)38)15(33)11(32)4-46-52(39,40)41/h1-3,7-8,12-13,15-19,23-24,33-37H,4-6H2,(H7-,25,26,27,28,38,39,40,41,42,43,44,45)/t12-,13-,15?,16-,17-,18-,19-,23-,24-/m1/s1 | | Synonyms: | NAD WITH (1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPANE) | | Definition date: | 2002-11-11 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3S,4R,5R)-5-[3-aminocarbonyl-4-[(1R)-1-hydroxy-2-oxo-3-phosphonooxy-propyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate |
|
