![S0S S0S](https://data.pdbj.org/pdbjplus/data/cc/svg/S0S.svg) | S0S | 表記: | (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol | 組成式: | C10 H14 N2 O3 S | SMILES: | O[CH]1C[S](=O)(=O)C[CH]1NCc2cccnc2 | InChi: | InChI=1S/C10H14N2O3S/c13-10-7-16(14,15)6-9(10)12-5-8-2-1-3-11-4-8/h1-4,9-10,12-13H,5-7H2/t9-,10-/m0/s1 | 定義日: | 2020-03-03 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol |
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![S1G S1G](https://data.pdbj.org/pdbjplus/data/cc/svg/S1G.svg) | S1G | 表記: | 4-[(phenylmethyl)amino]benzoic acid | 組成式: | C14 H13 N O2 | SMILES: | OC(=O)c1ccc(NCc2ccccc2)cc1 | InChi: | InChI=1S/C14H13NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17) | 定義日: | 2020-03-03 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | 4-[(phenylmethyl)amino]benzoic acid |
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![S1M S1M](https://data.pdbj.org/pdbjplus/data/cc/svg/S1M.svg) | S1M | 表記: | methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate | 組成式: | C9 H14 N2 O4 | SMILES: | COC(=O)C[CH]1N(CCNC1=O)C(C)=O | InChi: | InChI=1S/C9H14N2O4/c1-6(12)11-4-3-10-9(14)7(11)5-8(13)15-2/h7H,3-5H2,1-2H3,(H,10,14)/t7-/m0/s1 | 定義日: | 2020-03-03 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate |
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![S2J S2J](https://data.pdbj.org/pdbjplus/data/cc/svg/S2J.svg) | S2J | 表記: | methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate | 組成式: | C10 H17 N3 O4 | SMILES: | CCNC(=O)N1CCNC(=O)[CH]1CC(=O)OC | InChi: | InChI=1S/C10H17N3O4/c1-3-11-10(16)13-5-4-12-9(15)7(13)6-8(14)17-2/h7H,3-6H2,1-2H3,(H,11,16)(H,12,15)/t7-/m1/s1 | 定義日: | 2020-03-03 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate |
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![S2S S2S](https://data.pdbj.org/pdbjplus/data/cc/svg/S2S.svg) | S2S | 表記: | 4-(methylsulfonylamino)benzamide | 組成式: | C8 H10 N2 O3 S | SMILES: | C[S](=O)(=O)Nc1ccc(cc1)C(N)=O | InChi: | InChI=1S/C8H10N2O3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h2-5,10H,1H3,(H2,9,11) | 定義日: | 2020-03-03 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | 4-(methylsulfonylamino)benzamide |
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![S2V S2V](https://data.pdbj.org/pdbjplus/data/cc/svg/S2V.svg) | S2V | 表記: | (1-methylpiperidin-4-yl) 3-fluoranylbenzoate | 組成式: | C13 H16 F N O2 | SMILES: | CN1CCC(CC1)OC(=O)c2cccc(F)c2 | InChi: | InChI=1S/C13H16FNO2/c1-15-7-5-12(6-8-15)17-13(16)10-3-2-4-11(14)9-10/h2-4,9,12H,5-8H2,1H3 | 定義日: | 2020-03-03 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | (1-methylpiperidin-4-yl) 3-fluoranylbenzoate |
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![S2Y S2Y](https://data.pdbj.org/pdbjplus/data/cc/svg/S2Y.svg) | S2Y | 表記: | ~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline | 組成式: | C14 H14 F N O | SMILES: | COc1ccc(NCc2ccc(F)cc2)cc1 | InChi: | InChI=1S/C14H14FNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3 | 定義日: | 2020-03-03 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | ~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline |
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![PQ8 PQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/PQ8.svg) | PQ8 | 表記: | 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid | 組成式: | C22 H26 N4 O7 | SMILES: | CC(C)(C)OC(=O)N(CCOCCO)c1ccn2ncc(c3ccc(C(O)=O)c(O)c3)c2n1 | InChi: | InChI=1S/C22H26N4O7/c1-22(2,3)33-21(31)25(8-10-32-11-9-27)18-6-7-26-19(24-18)16(13-23-26)14-4-5-15(20(29)30)17(28)12-14/h4-7,12-13,27-28H,8-11H2,1-3H3,(H,29,30) | 定義日: | 2020-04-27 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid |
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![MZV MZV](https://data.pdbj.org/pdbjplus/data/cc/svg/MZV.svg) | MZV | 表記: | 3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide | 組成式: | C20 H13 F3 N6 O | SMILES: | c3(cc(cc(C(Nc2cc(c1nnnn1)ccc2)=O)c3)C(F)(F)F)c4ncccc4 | InChi: | InChI=1S/C20H13F3N6O/c21-20(22,23)15-9-13(17-6-1-2-7-24-17)8-14(10-15)19(30)25-16-5-3-4-12(11-16)18-26-28-29-27-18/h1-11H,(H,25,30)(H,26,27,28,29) | 定義日: | 2019-04-24 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | 3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide |
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![SGG SGG](https://data.pdbj.org/pdbjplus/data/cc/svg/SGG.svg) | SGG | 表記: | [(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid | 組成式: | C18 H22 Cl2 N O3 P | SMILES: | C[CH](NC[CH](O)C[P](O)(=O)Cc1ccccc1)c2ccc(Cl)c(Cl)c2 | InChi: | InChI=1S/C18H22Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h2-9,13,16,21-22H,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1 | 定義日: | 2020-03-09 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | [(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid |
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![O6T O6T](https://data.pdbj.org/pdbjplus/data/cc/svg/O6T.svg) | O6T | 表記: | biotC4-1 cofactor | 組成式: | C29 H37 Fe N7 O6 S | SMILES: | CC1(C)N2C(=O)C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(C1=O)[Fe]234)C(=O)NCCCC[CH]6SC[CH]7NC(=O)N[CH]67 | InChi: | InChI=1S/C29H41N7O6S.Fe/c1-27(2)22(38)35-28(3,4)24(40)31-16-11-10-15(13-17(16)32-25(41)29(5,6)36-23(27)39)21(37)30-12-8-7-9-19-20-18(14-43-19)33-26(42)34-20 | 定義日: | 2020-02-17 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 |
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![O7Q O7Q](https://data.pdbj.org/pdbjplus/data/cc/svg/O7Q.svg) | O7Q | 表記: | biotC5-1 cofactor | 組成式: | C30 H39 Fe N7 O6 S | SMILES: | CC1(C)N2C(=O)C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(C1=O)[Fe]234)C(=O)NCCCCC[CH]6SC[CH]7NC(=O)N[CH]67 | InChi: | InChI=1S/C30H43N7O6S.Fe/c1-28(2)23(39)36-29(3,4)25(41)32-17-12-11-16(14-18(17)33-26(42)30(5,6)37-24(28)40)22(38)31-13-9-7-8-10-20-21-19(15-44-20)34-27(43)35-21 | 定義日: | 2020-02-18 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 |
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![P9E P9E](https://data.pdbj.org/pdbjplus/data/cc/svg/P9E.svg) | P9E | 表記: | 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide | 組成式: | C7 H6 N2 O3 S2 | SMILES: | N[S](=O)(=O)c1ccc2OC(=S)Nc2c1 | InChi: | InChI=1S/C7H6N2O3S2/c8-14(10,11)4-1-2-6-5(3-4)9-7(13)12-6/h1-3H,(H,9,13)(H2,8,10,11) | 定義日: | 2020-04-18 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide |
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![D6F D6F](https://data.pdbj.org/pdbjplus/data/cc/svg/D6F.svg) | D6F | 表記: | 4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide | 組成式: | C39 H39 N4 | SMILES: | CC[n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+](CC)cc4)c5ccc(cc5)c6cc[n+](CC)cc6 | InChi: | InChI=1S/C39H39N4/c1-4-40-25-19-34(20-26-40)31-7-13-37(14-8-31)43(38-15-9-32(10-16-38)35-21-27-41(5-2)28-22-35)39-17-11-33(12-18-39)36-23-29-42(6-3)30-24-36/h7-30H,4-6H2,1-3H3/q+3 | 別名: | 4-(1-ethylpyridin-1-ium-4-yl)-N,N-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]aniline | 定義日: | 2019-07-11 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | 4-(1-ethylpyridin-1-ium-4-yl)-~{N},~{N}-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]aniline |
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![U2J U2J](https://data.pdbj.org/pdbjplus/data/cc/svg/U2J.svg) | U2J | 表記: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide | 組成式: | C23 H24 N10 O5 S | SMILES: | c1cc(ccc1c2nnnn2)C(=O)N4CC(CC4c3nc(cs3)C(NC)=O)NC(C5CC(=O)N(C(N5)=O)C)=O | InChi: | InChI=1S/C23H24N10O5S/c1-24-19(35)15-10-39-21(26-15)16-7-13(25-20(36)14-8-17(34)32(2)23(38)27-14)9-33(16)22(37)12-5-3-11(4-6-12)18-28-30-31-29-18/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,24,35)(H,25,36)(H,27,38)(H,28,29,30,31)/t13-,14-,16-/m0/s1 | 定義日: | 2020-04-09 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide |
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![U3G U3G](https://data.pdbj.org/pdbjplus/data/cc/svg/U3G.svg) | U3G | 表記: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate | 組成式: | C43 H76 N O8 P | SMILES: | [C@H](=CCCCCCCCC)CCCCCCCC(=O)OC(COC(CCCC=C/CC=[C@H]CC=[C@H]C[C@H]=[C@H]CCCCC)=O)COP(O)(=O)OCCN | InChi: | InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,27,29,41H,3-10,12,14-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1 | 定義日: | 2020-04-13 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
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![U3V U3V](https://data.pdbj.org/pdbjplus/data/cc/svg/U3V.svg) | U3V | 表記: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide | 組成式: | C24 H38 N6 O4 | SMILES: | c1c(n(C)nc1C(C)(C)C)C(=O)N2CCC(CC2)CC(C(NC)=O)NC(C3CCCC(N3)=O)=O | InChi: | InChI=1S/C24H38N6O4/c1-24(2,3)19-14-18(29(5)28-19)23(34)30-11-9-15(10-12-30)13-17(21(32)25-4)27-22(33)16-7-6-8-20(31)26-16/h14-17H,6-13H2,1-5H3,(H,25,32)(H,26,31)(H,27,33)/t16-,17-/m0/s1 | 定義日: | 2020-04-15 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide |
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![U3Y U3Y](https://data.pdbj.org/pdbjplus/data/cc/svg/U3Y.svg) | U3Y | 表記: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide | 組成式: | C23 H24 N10 O5 S | SMILES: | c1cc(ccc1c2nnnn2)C(=O)N4CC(CC4c3nc(cs3)C(NC)=O)NC(C5CC(=O)N(C(N5)=O)C)=O | InChi: | InChI=1S/C23H24N10O5S/c1-24-19(35)15-10-39-21(26-15)16-7-13(25-20(36)14-8-17(34)32(2)23(38)27-14)9-33(16)22(37)12-5-3-11(4-6-12)18-28-30-31-29-18/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,24,35)(H,25,36)(H,27,38)(H,28,29,30,31)/t13-,14-,16+/m0/s1 | 定義日: | 2020-04-15 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide |
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![U44 U44](https://data.pdbj.org/pdbjplus/data/cc/svg/U44.svg) | U44 | 表記: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide | 組成式: | C11 H22 N2 O3 S | SMILES: | C(S)CNC(CCNC(=O)C(C(C)(C)C)O)=O | InChi: | InChI=1S/C11H22N2O3S/c1-11(2,3)9(15)10(16)13-5-4-8(14)12-6-7-17/h9,15,17H,4-7H2,1-3H3,(H,12,14)(H,13,16)/t9-/m0/s1 | 定義日: | 2020-04-16 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide |
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![U6D U6D](https://data.pdbj.org/pdbjplus/data/cc/svg/U6D.svg) | U6D | 表記: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline | 組成式: | C28 H33 F4 N3 O | SMILES: | C5c1c(nc2c1cccc2)C(c4c(cc(OCCN3CC(CF)C3)cc4F)F)N(CC(F)(C)C)C5C | InChi: | InChI=1S/C28H33F4N3O/c1-17-10-21-20-6-4-5-7-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)11-19(12-23(25)31)36-9-8-34-14-18(13-29)15-34/h4-7,11-12,17-18,27,33H,8-10,13-16H2,1-3H3/t17-,27-/m1/s1 | 定義日: | 2020-04-27 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline |
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![V3J V3J](https://data.pdbj.org/pdbjplus/data/cc/svg/V3J.svg) | V3J | 表記: | (4,7-dihydro-2H-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone | 組成式: | C11 H11 N3 O2 S | SMILES: | C3N(C(c2ccc1c(nns1)c2)=O)CCOC3 | InChi: | InChI=1S/C11H11N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7H,3-6H2 | 定義日: | 2020-06-19 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | (1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone |
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![G4P G4P](https://data.pdbj.org/pdbjplus/data/cc/svg/G4P.svg) | G4P | 表記: | GUANOSINE-5',3'-TETRAPHOSPHATE | 組成式: | C10 H17 N5 O17 P4 | SMILES: | O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)OP(=O)(O)O | InChi: | InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 | 別名: | guanosine tetraphosphate | 定義日: | 2002-05-16 | 最終更新日: | 2020-06-24 | 識別子(ID): | guanosine 3',5'-bis(trihydrogen diphosphate) |
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![AR4 AR4](https://data.pdbj.org/pdbjplus/data/cc/svg/AR4.svg) | AR4 | 表記: | 2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid | 組成式: | C10 H16 F N O8 | SMILES: | O=C(OC1OC(C(O)C1(F)O)CO)CCC(C(=O)O)N | InChi: | InChI=1S/C10H16FNO8/c11-10(18)7(15)5(3-13)19-9(10)20-6(14)2-1-4(12)8(16)17/h4-5,7,9,13,15,18H,1-3,12H2,(H,16,17)/t4-,5+,7+,9+,10+/m0/s1 | 別名: | MODIFIED RIBOSYLATED GLUTAMYL ESTER | 定義日: | 2004-02-16 | 最終更新日: | 2020-06-21 | 識別子(ID): | (2S)-2-amino-5-{[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy}-5-oxopentanoic acid (non-preferred name) |
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![WK1 WK1](https://data.pdbj.org/pdbjplus/data/cc/svg/WK1.svg) | WK1 | 表記: | (2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid | 組成式: | C25 H35 N O6 | SMILES: | CC=C(C)[CH]1C=C[CH]2C[CH](C)C[CH](C)[CH]2[CH]1C(O)=C3C(=O)N[CH](C[C](C)(O)C(O)=O)C3=O | InChi: | InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+,22-20+/t12-,14+,15-,16+,17-,18-,19-,25-/m0/s1 | 定義日: | 2019-07-03 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | (2~{S})-3-[(2~{S},4~{E})-4-[[(1~{R},2~{S},4~{a}~{R},6~{S},8~{R},8~{a}~{S})-2-[(~{E})-but-2-en-2-yl]-6,8-dimethyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid |
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![FHX FHX](https://data.pdbj.org/pdbjplus/data/cc/svg/FHX.svg) | FHX | 表記: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile | 組成式: | C16 H18 N6 O | SMILES: | C[CH]1CN(C(=O)CC#N)[C]12CCN(C2)c3ncnc4[nH]ccc34 | InChi: | InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1 | 定義日: | 2020-05-14 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | 3-[(3~{S},4~{R})-3-methyl-7-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile |
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