![DW4 DW4](https://data.pdbj.org/pdbjplus/data/cc/svg/DW4.svg) | DW4 | 表記: | benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate | 組成式: | C29 H41 N7 O6 | SMILES: | C(OCc1ccccc1)(=O)NC2C(=O)NC(C(NC(CCC(NCCn3cc(C2)nn3)=O)CO)=O)CC4CCCCC4 | InChi: | InChI=1S/C29H41N7O6/c37-18-22-11-12-26(38)30-13-14-36-17-23(34-35-36)16-25(33-29(41)42-19-21-9-5-2-6-10-21)28(40)32-24(27(39)31-22)15-20-7-3-1-4-8-20/h2,5-6,9-10,17,20,22,24-25,37H,1,3-4,7-8,11-16,18-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)/t22-,24-,25-/m0/s1 | 定義日: | 2017-11-09 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate |
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![72R 72R](https://data.pdbj.org/pdbjplus/data/cc/svg/72R.svg) | 72R | 表記: | 5-fluoranyl-1~{H}-indole-2,3-dione | 組成式: | C8 H4 F N O2 | SMILES: | Fc1ccc2NC(=O)C(=O)c2c1 | InChi: | InChI=1S/C8H4FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12) | 定義日: | 2016-08-18 | 最終更新日: | 2018-08-24 | 公開日: | 2018-08-29 | 識別子(ID): | 5-fluoranyl-1~{H}-indole-2,3-dione |
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![B74 B74](https://data.pdbj.org/pdbjplus/data/cc/svg/B74.svg) | B74 | 表記: | (3-methylphenyl)methanol | 組成式: | C8 H10 O | SMILES: | C(O)c1cc(ccc1)C | InChi: | InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3 | 定義日: | 2017-08-02 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | (3-methylphenyl)methanol |
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![9GY 9GY](https://data.pdbj.org/pdbjplus/data/cc/svg/9GY.svg) | 9GY | 表記: | 3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide | 組成式: | C24 H23 N3 O4 | SMILES: | CNC(=O)c1cccc(c1)c3cc2N(CC(N(c2cc3)C(=O)C)C)C(=O)c4ccco4 | InChi: | InChI=1S/C24H23N3O4/c1-15-14-26(24(30)22-8-5-11-31-22)21-13-18(9-10-20(21)27(15)16(2)28)17-6-4-7-19(12-17)23(29)25-3/h4-13,15H,14H2,1-3H3,(H,25,29)/t15-/m0/s1 | 定義日: | 2017-05-10 | 最終更新日: | 2017-07-28 | 公開日: | 2017-08-02 | 識別子(ID): | 3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide |
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![J0W J0W](https://data.pdbj.org/pdbjplus/data/cc/svg/J0W.svg) | J0W | 表記: | (E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID | 組成式: | C23 H27 N O3 | SMILES: | CC(C)CN1CCc2cc(O)ccc2[C]1(C)c3ccc(C=CC(O)=O)cc3 | InChi: | InChI=1S/C23H27NO3/c1-16(2)15-24-13-12-18-14-20(25)9-10-21(18)23(24,3)19-7-4-17(5-8-19)6-11-22(26)27/h4-11,14,16,25H,12-13,15H2,1-3H3,(H,26,27)/b11-6+/t23-/m1/s1 | 定義日: | 2015-12-14 | 最終更新日: | 2016-02-05 | 公開日: | 2016-02-10 | 識別子(ID): | (E)-3-[4-[(1R)-1-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid |
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![4M6 4M6](https://data.pdbj.org/pdbjplus/data/cc/svg/4M6.svg) | 4M6 | 表記: | 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid | 組成式: | C25 H23 N O3 | SMILES: | OC(c3n1CCCc2c1c(ccc2)c3CCCOc5c4ccccc4ccc5)=O | InChi: | InChI=1S/C25H23NO3/c27-25(28)24-21(20-12-3-9-18-10-5-15-26(24)23(18)20)13-6-16-29-22-14-4-8-17-7-1-2-11-19(17)22/h1-4,7-9,11-12,14H,5-6,10,13,15-16H2,(H,27,28) | 定義日: | 2015-04-15 | 最終更新日: | 2015-04-24 | 公開日: | 2015-04-29 | 識別子(ID): | 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid |
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![MYB MYB](https://data.pdbj.org/pdbjplus/data/cc/svg/MYB.svg) | MYB | 表記: | Decarboxylated Myriocin | 組成式: | C20 H39 N O4 | SMILES: | O=C(CCCCCC)CCCCCC/C=C/CC(O)C(O)C(N)CO | InChi: | InChI=1S/C20H39NO4/c1-2-3-4-10-13-17(23)14-11-8-6-5-7-9-12-15-19(24)20(25)18(21)16-22/h9,12,18-20,22,24-25H,2-8,10-11,13-16,21H2,1H3/b12-9+/t18-,19+,20+/m0/s1 | 定義日: | 2013-03-22 | 最終更新日: | 2014-09-05 | 公開日: | 2013-09-04 | 識別子(ID): | (14E,17R,18R,19S)-19-amino-17,18,20-trihydroxyicos-14-en-7-one |
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![U6B U6B](https://data.pdbj.org/pdbjplus/data/cc/svg/U6B.svg) | U6B | 表記: | 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE | 組成式: | C22 H24 N4 O2 | SMILES: | O=C(NC(C=[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3(N)CCOCC3 | InChi: | InChI=1S/C22H24N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,15,20,24H,9-13,25H2,(H,26,27)/b24-15+/t20-/m0/s1 | 定義日: | 2013-10-31 | 最終更新日: | 2014-09-05 | 公開日: | 2014-03-19 | 識別子(ID): | 4-amino-N-[(2S,3E)-1-(4'-cyanobiphenyl-4-yl)-3-iminopropan-2-yl]tetrahydro-2H-pyran-4-carboxamide |
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![WOC WOC](https://data.pdbj.org/pdbjplus/data/cc/svg/WOC.svg) | WOC | 表記: | 2,2-dimethylbutanedioic acid | 組成式: | C6 H10 O4 | SMILES: | O=C(O)C(C)(C)CC(=O)O | InChi: | InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10) | 定義日: | 2014-07-25 | 最終更新日: | 2014-08-15 | 公開日: | 2014-08-20 | 識別子(ID): | 2,2-dimethylbutanedioic acid |
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![1VM 1VM](https://data.pdbj.org/pdbjplus/data/cc/svg/1VM.svg) | 1VM | 表記: | 7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine | 組成式: | C20 H17 N7 S | SMILES: | n1ccsc1c2nc5c(n2c4cc3nc(nc(N)c3cc4)N)cc(c(c5)C)C | InChi: | InChI=1S/C20H17N7S/c1-10-7-15-16(8-11(10)2)27(18(24-15)19-23-5-6-28-19)12-3-4-13-14(9-12)25-20(22)26-17(13)21/h3-9H,1-2H3,(H4,21,22,25,26) | 定義日: | 2013-06-20 | 最終更新日: | 2014-02-14 | 公開日: | 2014-02-19 | 識別子(ID): | 7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine |
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![8SP 8SP](https://data.pdbj.org/pdbjplus/data/cc/svg/8SP.svg) | 8SP | 表記: | O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine | 組成式: | C22 H42 N O10 P | SMILES: | O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCC)CCCCCCC | InChi: | InChI=1S/C22H42NO10P/c1-3-5-7-9-11-13-20(24)30-15-18(33-21(25)14-12-10-8-6-4-2)16-31-34(28,29)32-17-19(23)22(26)27/h18-19H,3-17,23H2,1-2H3,(H,26,27)(H,28,29)/t18-,19+/m1/s1 | 定義日: | 2013-01-22 | 最終更新日: | 2013-02-08 | 公開日: | 2013-02-08 | 識別子(ID): | O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine |
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![FDL FDL](https://data.pdbj.org/pdbjplus/data/cc/svg/FDL.svg) | FDL | 表記: | N~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide | 組成式: | C18 H23 N3 O4 | SMILES: | O=C(NCCCCC(N)C(=O)Nc2ccc1c(OC(=O)C=C1C)c2)C | InChi: | InChI=1S/C18H23N3O4/c1-11-9-17(23)25-16-10-13(6-7-14(11)16)21-18(24)15(19)5-3-4-8-20-12(2)22/h6-7,9-10,15H,3-5,8,19H2,1-2H3,(H,20,22)(H,21,24)/t15-/m0/s1 | 定義日: | 2012-10-11 | 最終更新日: | 2012-11-30 | 公開日: | 2012-11-30 | 識別子(ID): | N~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide |
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![0Y7 0Y7](https://data.pdbj.org/pdbjplus/data/cc/svg/0Y7.svg) | 0Y7 | 表記: | {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid | 組成式: | C23 H25 Cl2 N O4 | SMILES: | O=C(O)CC3C(=O)N(C(CO)CC)C(c1ccc(Cl)cc1)C(c2cccc(Cl)c2)C3 | InChi: | InChI=1S/C23H25Cl2NO4/c1-2-19(13-27)26-22(14-6-8-17(24)9-7-14)20(15-4-3-5-18(25)10-15)11-16(23(26)30)12-21(28)29/h3-10,16,19-20,22,27H,2,11-13H2,1H3,(H,28,29)/t16-,19+,20-,22-/m1/s1 | 定義日: | 2012-10-02 | 最終更新日: | 2012-10-12 | 公開日: | 2012-10-12 | 識別子(ID): | {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid |
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![NNJ NNJ](https://data.pdbj.org/pdbjplus/data/cc/svg/NNJ.svg) | NNJ | 表記: | 3-(aminomethyl)-1-methylpyridinium | 組成式: | C7 H11 N2 | SMILES: | NCc1ccc[n+](c1)C | InChi: | InChI=1S/C7H11N2/c1-9-4-2-3-7(5-8)6-9/h2-4,6H,5,8H2,1H3/q+1 | 定義日: | 2011-03-17 | 最終更新日: | 2012-07-17 | 識別子(ID): | 3-(aminomethyl)-1-methylpyridinium |
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![02B 02B](https://data.pdbj.org/pdbjplus/data/cc/svg/02B.svg) | 02B | 表記: | 4-methoxy-2,3,6-trimethylbenzenesulfonic acid | 組成式: | C10 H14 O4 S | SMILES: | O=S(=O)(O)c1c(c(c(OC)cc1C)C)C | InChi: | InChI=1S/C10H14O4S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3,(H,11,12,13) | 定義日: | 2011-02-25 | 最終更新日: | 2012-01-13 | 識別子(ID): | 4-methoxy-2,3,6-trimethylbenzenesulfonic acid |
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![MGX MGX](https://data.pdbj.org/pdbjplus/data/cc/svg/MGX.svg) | MGX | 表記: | 1-METHYLGUANIDINE | 組成式: | C2 H7 N3 | SMILES: | [N@H]=C(N)NC | InChi: | InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5) | 定義日: | 2006-02-10 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-methylguanidine |
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![KI9 KI9](https://data.pdbj.org/pdbjplus/data/cc/svg/KI9.svg) | KI9 | 表記: | 2,3,4,6,8-PENTACHLORO-9H-CARBAZOL-1-OL | 組成式: | C12 H4 Cl5 N O | SMILES: | Clc1c(O)c3c(c(Cl)c1Cl)c2cc(Cl)cc(Cl)c2n3 | InChi: | InChI=1S/C12H4Cl5NO/c13-3-1-4-6-7(15)8(16)9(17)12(19)11(6)18-10(4)5(14)2-3/h1-2,18-19H | 定義日: | 2010-03-19 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2,3,4,6,8-pentachloro-9H-carbazol-1-ol |
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![34D 34D](https://data.pdbj.org/pdbjplus/data/cc/svg/34D.svg) | 34D | 表記: | 3,5-DIHYDROXYBENZOATE | 組成式: | C7 H6 O4 | SMILES: | O=C(O)c1cc(O)cc(O)c1 | InChi: | InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11) | 定義日: | 2005-07-25 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3,5-dihydroxybenzoic acid |
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![SE4 SE4](https://data.pdbj.org/pdbjplus/data/cc/svg/SE4.svg) | SE4 | 表記: | SELENATE ION | 組成式: | O4 Se | SMILES: | [O-][Se]([O-])(=O)=O | InChi: | InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | selenate |
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![BEN BEN](https://data.pdbj.org/pdbjplus/data/cc/svg/BEN.svg) | BEN | 表記: | BENZAMIDINE | 組成式: | C7 H8 N2 | SMILES: | [N@H]=C(N)c1ccccc1 | InChi: | InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | benzenecarboximidamide |
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![ETF ETF](https://data.pdbj.org/pdbjplus/data/cc/svg/ETF.svg) | ETF | 表記: | TRIFLUOROETHANOL | 組成式: | C2 H3 F3 O | SMILES: | FC(F)(F)CO | InChi: | InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2,2,2-trifluoroethanol |
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![HE2 HE2](https://data.pdbj.org/pdbjplus/data/cc/svg/HE2.svg) | HE2 | 表記: | HEXAN-1-OL | 組成式: | C6 H14 O | SMILES: | OCCCCCC | InChi: | InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 | 定義日: | 2005-05-16 | 最終更新日: | 2011-06-04 | 識別子(ID): | hexan-1-ol |
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![C2U C2U](https://data.pdbj.org/pdbjplus/data/cc/svg/C2U.svg) | C2U | 表記: | 3,5-dichloro-2-hydroxybenzoic acid | 組成式: | C7 H4 Cl2 O3 | SMILES: | Clc1cc(Cl)cc(C(=O)O)c1O | InChi: | InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12) | 定義日: | 2008-01-31 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3,5-dichloro-2-hydroxybenzoic acid |
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![561 561](https://data.pdbj.org/pdbjplus/data/cc/svg/561.svg) | 561 | 表記: | 6-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLAMINO)-4-OXOBUTYL]-1,2,3-TRIAZOLIDIN-4-YL}-1-BENZOFURAN-5-CARBOXYLIC ACID | 組成式: | C25 H24 N4 O5 | SMILES: | O=C(Nc2c1ccccc1ccc2)CCCN5NNC(c3c4cc(c(O)cc4oc3)C(=O)O)C5 | InChi: | InChI=1S/C25H24N4O5/c30-22-12-23-17(11-18(22)25(32)33)19(14-34-23)21-13-29(28-27-21)10-4-9-24(31)26-20-8-3-6-15-5-1-2-7-16(15)20/h1-3,5-8,11-12,14,21,27-28,30H,4,9-10,13H2,(H,26,31)(H,32,33)/t21-/m0/s1 | 定義日: | 2007-06-21 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-hydroxy-3-{(4R)-1-[4-(naphthalen-1-ylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carboxylic acid |
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![NTN NTN](https://data.pdbj.org/pdbjplus/data/cc/svg/NTN.svg) | NTN | 表記: | ISONICOTINAMIDINE | 組成式: | C6 H7 N3 | SMILES: | [N@H]=C(N)c1ccncc1 | InChi: | InChI=1S/C6H7N3/c7-6(8)5-1-3-9-4-2-5/h1-4H,(H3,7,8) | 定義日: | 2001-04-16 | 最終更新日: | 2011-06-04 | 識別子(ID): | pyridine-4-carboximidamide |
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