![AF2 AF2](https://data.pdbj.org/pdbjplus/data/cc/svg/AF2.svg) | AF2 | 表記: | 2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate) | 組成式: | C10 H13 F N5 O6 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(F)C3O | InChi: | 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)/t4-,5-,7-,10-/m1/s1 | 定義日: | 2010-04-20 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate) |
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![PCU PCU](https://data.pdbj.org/pdbjplus/data/cc/svg/PCU.svg) | PCU | 表記: | CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PORPHYRIN | 組成式: | C44 H36 Cu N8 | SMILES: | c56C(=C1/C=CN(C=C1)C)c%11ccc%12C(=C2/C=CN(C=C2)C)/c%10ccc9C(=C3/C=CN(C=C3)C)/c8ccc7C(=C4/C=CN(C=C4)C)/c(cc5)n6[Cu](n78)(n9%10)n%11%12 | InChi: | InChI=1S/C44H36N8.Cu/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | [5,10,15,20-tetrakis(1-methylpyridin-4(1H)-ylidene)-5,10,15,20,22,24-hexahydroporphyrinato(4-)-kappa~4~N~21~,N~22~,N~23~,N~24~]copper |
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![AG0 AG0](https://data.pdbj.org/pdbjplus/data/cc/svg/AG0.svg) | AG0 | 表記: | (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one | 組成式: | C29 H37 N5 O3 | SMILES: | O=C2OC(C1CCCC1)(CC(O)=C2Cc3nc4nc(cc(n4n3)C)C)CCc5cc(nc(c5)CC)CC | InChi: | InChI=1S/C29H37N5O3/c1-5-22-14-20(15-23(6-2)31-22)11-12-29(21-9-7-8-10-21)17-25(35)24(27(36)37-29)16-26-32-28-30-18(3)13-19(4)34(28)33-26/h13-15,21,35H,5-12,16-17H2,1-4H3/t29-/m1/s1 | 定義日: | 2009-01-12 | 最終更新日: | 2011-06-04 | 識別子(ID): | (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one |
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![AG1 AG1](https://data.pdbj.org/pdbjplus/data/cc/svg/AG1.svg) | AG1 | 表記: | RUTHENIUM PYRIDOCARBAZOLE | 組成式: | C27 H17 F N4 O7 Ru | SMILES: | O=C(O)C(NC(=O)C1(C=CC=C1)[Ru]7(C#[O+])n3c2c6c(c5c(c2c4c3ccc(O)c4)C(=O)NC5=O)cc(F)c[n+]67)C | InChi: | InChI=1S/C17H8FN3O3.C9H10NO3.CO.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6 | 定義日: | 2008-09-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | carbonyl(1-{[(1S)-1-carboxyethyl]carbamoyl}cyclopenta-2,4-dien-1-yl)(3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')ruthenium(2+) |
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![PD7 PD7](https://data.pdbj.org/pdbjplus/data/cc/svg/PD7.svg) | PD7 | 表記: | (2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate | 組成式: | C17 H33 O8 P | SMILES: | O=P(O)(OCC(OC(=O)CCCCCC)COC(=O)CCCCCC)O | InChi: | InChI=1S/C17H33O8P/c1-3-5-7-9-11-16(18)23-13-15(14-24-26(20,21)22)25-17(19)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H2,20,21,22)/t15-/m1/s1 | 定義日: | 2007-12-07 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate |
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![AGO AGO](https://data.pdbj.org/pdbjplus/data/cc/svg/AGO.svg) | AGO | 表記: | 2-amino-9-(5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-O-{[2-(methylamino)phenyl]carbonyl}-beta-D-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6H-purin-6-one | 組成式: | C18 H22 N7 O14 P3 | SMILES: | O=P(OCC2OC(C(=O)C2OC(=O)c1ccccc1NC)n3c4N=C(N)NC(=O)c4nc3)(O)OP(=O)(O)NP(=O)(O)O | InChi: | InChI=1S/C18H22N7O14P3/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/h2-5,7,10,13,16,20H,6H2,1H3,(H,34,35)(H3,19,22,23,27)(H4,24,29,30,31,32,33)/t10-,13-,16-/m1/s1 | 定義日: | 2009-08-06 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2-amino-9-(5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-O-{[2-(methylamino)phenyl]carbonyl}-beta-D-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6H-purin-6-one |
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![AIF AIF](https://data.pdbj.org/pdbjplus/data/cc/svg/AIF.svg) | AIF | 表記: | [(2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-3H-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate | 組成式: | C9 H15 N4 O9 P | SMILES: | O=C1NC(/N=C/C(O)C(O)C(O)COP(=O)(O)O)=C(C(=O)N1)N | InChi: | InChI=1S/C9H15N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h1,3-4,6,14-16H,2,10H2,(H2,19,20,21)(H2,12,13,17,18)/b11-1+/t3-,4-,6+/m1/s1 | 定義日: | 2008-10-22 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino]-2,3,4-trihydroxypentyl dihydrogen phosphate (non-preferred name) |
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![PGI PGI](https://data.pdbj.org/pdbjplus/data/cc/svg/PGI.svg) | PGI | 表記: | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | 組成式: | C16 H21 N2 O4 | SMILES: | OCC2[n+]1cc(nc1C(O)C(O)C2O)CCc3ccccc3 | InChi: | InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2/p+1/t12-,13-,14+,15-/m1/s1 | 定義日: | 2006-02-10 | 最終更新日: | 2011-06-04 | 識別子(ID): | (5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium |
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![D7K D7K](https://data.pdbj.org/pdbjplus/data/cc/svg/D7K.svg) | D7K | 表記: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium | 組成式: | C20 H28 N4 O11 P3 S | SMILES: | O=P(O)(OP(=O)(O)O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(c3ccccc3)P(=O)(OC)O | InChi: | InChI=1S/C20H27N4O11P3S/c1-13-17(9-10-34-38(31,32)35-37(28,29)30)39-19(24(13)12-15-11-22-14(2)23-18(15)21)20(25,36(26,27)33-3)16-7-5-4-6-8-16/h4-8,11,25H,9-10,12H2,1-3H3,(H5-,21,22,23,26,27,28,29,30,31,32)/p+1/t20-/m0/s1 | 定義日: | 2008-05-22 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium |
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![AM3 AM3](https://data.pdbj.org/pdbjplus/data/cc/svg/AM3.svg) | AM3 | 表記: | (3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol | 組成式: | C15 H28 N2 O5 | SMILES: | N(=C1OCC2N1C(O)C(O)C(O)C2O)CCCCCCCC | InChi: | InChI=1S/C15H28N2O5/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11+,12+,13-,14+/m1/s1 | 定義日: | 2009-04-07 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol |
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![AM9 AM9](https://data.pdbj.org/pdbjplus/data/cc/svg/AM9.svg) | AM9 | 表記: | 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one | 組成式: | C31 H30 N8 O | SMILES: | O=C3N(c1c(cccc1C)C)c6nc7ccccc7n6c2nc(ncc23)Nc4ccc(cc4)N5CCN(C)CC5 | InChi: | InChI=1S/C31H30N8O/c1-20-7-6-8-21(2)27(20)39-29(40)24-19-32-30(35-28(24)38-26-10-5-4-9-25(26)34-31(38)39)33-22-11-13-23(14-12-22)37-17-15-36(3)16-18-37/h4-14,19H,15-18H2,1-3H3,(H,32,33,35) | 定義日: | 2008-01-21 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one |
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![AMF AMF](https://data.pdbj.org/pdbjplus/data/cc/svg/AMF.svg) | AMF | 表記: | (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol | 組成式: | C15 H28 N2 O4 S | SMILES: | N(=C1SCC2N1C(O)C(O)C(O)C2O)CCCCCCCC | InChi: | InChI=1S/C15H28N2O4S/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11-,12+,13-,14+/m1/s1 | 定義日: | 2009-04-07 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol |
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![AMX AMX](https://data.pdbj.org/pdbjplus/data/cc/svg/AMX.svg) | AMX | 表記: | AMIDOCARBOXYMETHYLDETHIA COENZYME *A | 組成式: | C23 H39 N8 O17 P3 | SMILES: | O=C(N)CCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | InChi: | InChI=1S/C23H39N8O17P3/c1-23(2,18(35)21(36)27-7-5-14(33)26-6-3-4-13(24)32)9-45-51(42,43)48-50(40,41)44-8-12-17(47-49(37,38)39)16(34)22(46-12)31-11-30-15-19(25)28-10-29-20(15)31/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H2,24,32)(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3R)-4-({3-[(4-amino-4-oxobutyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![AN6 AN6](https://data.pdbj.org/pdbjplus/data/cc/svg/AN6.svg) | AN6 | 表記: | 5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine | 組成式: | C16 H25 N7 O5 | SMILES: | O=C(O)C(N)CCN(CC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C16H25N7O5/c1-2-22(4-3-8(17)16(26)27)5-9-11(24)12(25)15(28-9)23-7-21-10-13(18)19-6-20-14(10)23/h6-9,11-12,15,24-25H,2-5,17H2,1H3,(H,26,27)(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1 | 定義日: | 2009-07-28 | 最終更新日: | 2011-06-04 | 識別子(ID): | 5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine |
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![D94 D94](https://data.pdbj.org/pdbjplus/data/cc/svg/D94.svg) | D94 | 表記: | 3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine | 組成式: | C30 H31 N7 | SMILES: | n2c1cc(ccc1ccc2c3ccccc3)c5nc(n4ccnc(N)c45)C7CC(N6CCN(CC6)C)C7 | InChi: | InChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h2-12,19,23-24H,13-18H2,1H3,(H2,31,32)/t23-,24+ | 定義日: | 2008-05-27 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine |
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![ANB ANB](https://data.pdbj.org/pdbjplus/data/cc/svg/ANB.svg) | ANB | 表記: | ANDROSTA-1,4-DIENE-3,17-DIONE | 組成式: | C19 H24 O2 | SMILES: | O=C1C=CC3(C(=C1)CCC4C2CCC(=O)C2(CCC34)C)C | InChi: | InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 | 定義日: | 2001-06-04 | 最終更新日: | 2011-06-04 | 識別子(ID): | (8alpha,14beta)-androsta-1,4-diene-3,17-dione |
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![AND AND](https://data.pdbj.org/pdbjplus/data/cc/svg/AND.svg) | AND | 表記: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | 組成式: | C19 H28 O2 | SMILES: | O=C3CCC4C1C(C2(C(=CC1)CC(O)CC2)C)CCC34C | InChi: | InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3alpha,8alpha)-3-hydroxyandrost-5-en-17-one |
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![ANO ANO](https://data.pdbj.org/pdbjplus/data/cc/svg/ANO.svg) | ANO | 表記: | 5-BETA-ANDROSTANE-3,17-DIONE | 組成式: | C19 H28 O2 | SMILES: | O=C3CC4CCC2C1C(C(=O)CC1)(CCC2C4(C)CC3)C | InChi: | InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | (5beta,8alpha)-androstane-3,17-dione |
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![AO9 AO9](https://data.pdbj.org/pdbjplus/data/cc/svg/AO9.svg) | AO9 | 表記: | 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine | 組成式: | C15 H16 N6 O5 S | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)c3cnc4sccn34 | InChi: | InChI=1S/C15H16N6O5S/c16-9-1-2-21(14(25)19-9)13-11(23)10(22)8(26-13)6-17-12(24)7-5-18-15-20(7)3-4-27-15/h1-5,8,10-11,13,22-23H,6H2,(H,17,24)(H2,16,19,25)/t8-,10-,11-,13-/m1/s1 | 定義日: | 2011-01-07 | 最終更新日: | 2011-06-04 | 識別子(ID): | 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine |
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![AOE AOE](https://data.pdbj.org/pdbjplus/data/cc/svg/AOE.svg) | AOE | 表記: | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-7-YL]-N-METHYLUNDECANAMIDE | 組成式: | C34 H55 N O3 | SMILES: | O=C(N(CCCC)C)CCCCCCCCCCC2Cc1c(ccc(O)c1)C3C2C4C(C)(CC3)C(O)CC4 | InChi: | InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1 | 定義日: | 2001-01-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-butyl-11-[(7alpha,9beta,13alpha,14beta,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamide |
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![DAJ DAJ](https://data.pdbj.org/pdbjplus/data/cc/svg/DAJ.svg) | DAJ | 表記: | DECARBAMOYL-2,7-DIAMINOMITOSENE | 組成式: | C13 H16 N3 O2 | SMILES: | O=C1c2c(C(=O)C(N)=C1C)c(c3n2CC(C3)[NH3+])C | InChi: | InChI=1S/C13H15N3O2/c1-5-8-3-7(14)4-16(8)11-9(5)13(18)10(15)6(2)12(11)17/h7H,3-4,14-15H2,1-2H3/p+1/t7-/m1/s1 | 定義日: | 2001-08-01 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R)-7-amino-6,9-dimethyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-2-aminium |
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![AOM AOM](https://data.pdbj.org/pdbjplus/data/cc/svg/AOM.svg) | AOM | 表記: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | 組成式: | C19 H32 O2 | SMILES: | OC4CC3C(C1C(C2C(C)(CC1)C(O)CC2)CC3)(C)CC4 | InChi: | InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1 | 定義日: | 2002-04-24 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3alpha,5beta,8alpha,17beta)-androstane-3,17-diol |
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![AON AON](https://data.pdbj.org/pdbjplus/data/cc/svg/AON.svg) | AON | 表記: | 5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL | 組成式: | C19 H32 O2 | SMILES: | OC4CC3C(C1C(C2C(C)(CC1)C(O)CC2)CC3)(C)CC4 | InChi: | InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1 | 定義日: | 2002-04-24 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3beta,5beta,17beta)-androstane-3,17-diol |
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![DBW DBW](https://data.pdbj.org/pdbjplus/data/cc/svg/DBW.svg) | DBW | 表記: | 4,14-dihydro-8H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol | 組成式: | C18 H15 N O4 | SMILES: | Oc1ccc2C=C3N(Cc2c1O)C=CC4=C3CC5=C(C4)OCO5 | InChi: | InChI=1S/C18H15NO4/c20-15-2-1-10-5-14-12-7-17-16(22-9-23-17)6-11(12)3-4-19(14)8-13(10)18(15)21/h1-5,20-21H,6-9H2 | 定義日: | 2009-12-18 | 最終更新日: | 2011-06-04 |
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![DCA DCA](https://data.pdbj.org/pdbjplus/data/cc/svg/DCA.svg) | DCA | 表記: | DESULFO-COENZYME A | 組成式: | C21 H36 N7 O16 P3 | SMILES: | O=C(NCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | InChi: | InChI=1S/C21H36N7O16P3/c1-4-23-12(29)5-6-24-19(32)16(31)21(2,3)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-4-{[3-(ethylamino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) |
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