![AFY AFY](https://data.pdbj.org/pdbjplus/data/cc/svg/AFY.svg) | AFY | 表記: | (3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid | 組成式: | C16 H29 N2 O10 P S | SMILES: | C(SC1(CC(O)=O)COC1)CNC(CCNC(C(C(C)(C)COP(O)(O)=O)O)=O)=O | InChi: | InChI=1S/C16H29N2O10PS/c1-15(2,8-28-29(24,25)26)13(22)14(23)18-4-3-11(19)17-5-6-30-16(7-12(20)21)9-27-10-16/h13,22H,3-10H2,1-2H3,(H,17,19)(H,18,23)(H,20,21)(H2,24,25,26)/t13-/m0/s1 | 定義日: | 2017-07-17 | 最終更新日: | 2018-04-13 | 公開日: | 2018-04-18 | 識別子(ID): | (3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid |
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![B7E B7E](https://data.pdbj.org/pdbjplus/data/cc/svg/B7E.svg) | B7E | 表記: | compound 28 | 組成式: | C22 H26 N4 O2 | SMILES: | CO[CH]1CC[C]2(C[CH]1C)Cc3ccc(cc3[C]24COC(=N4)N)c5cncnc5 | InChi: | InChI=1S/C22H26N4O2/c1-14-8-21(6-5-19(14)27-2)9-16-4-3-15(17-10-24-13-25-11-17)7-18(16)22(21)12-28-20(23)26-22/h3-4,7,10-11,13-14,19H,5-6,8-9,12H2,1-2H3,(H2,23,26)/t14-,19-,21-,22-/m0/s1 | 定義日: | 2017-09-20 | 最終更新日: | 2018-04-13 | 公開日: | 2018-04-18 |
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![B7T B7T](https://data.pdbj.org/pdbjplus/data/cc/svg/B7T.svg) | B7T | 表記: | (1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine | 組成式: | C23 H27 N3 O2 | SMILES: | CO[CH]1CC[C]2(CC1)Cc3ccc(cc3[C]24COC(=N4)N)c5cncc(C)c5 | InChi: | InChI=1S/C23H27N3O2/c1-15-9-18(13-25-12-15)16-3-4-17-11-22(7-5-19(27-2)6-8-22)23(20(17)10-16)14-28-21(24)26-23/h3-4,9-10,12-13,19H,5-8,11,14H2,1-2H3,(H2,24,26)/t19-,22-,23-/m0/s1 | 定義日: | 2017-09-20 | 最終更新日: | 2018-04-13 | 公開日: | 2018-04-18 |
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![BQZ BQZ](https://data.pdbj.org/pdbjplus/data/cc/svg/BQZ.svg) | BQZ | 表記: | galactinol | 組成式: | C12 H22 O11 | SMILES: | OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,4+,5-,6-,7+,8+,9+,10-,11-,12-/m1/s1 | 定義日: | 2017-10-12 | 最終更新日: | 2018-04-13 | 公開日: | 2018-04-18 | 識別子(ID): | (1~{S},2~{R},4~{S},5~{S})-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol |
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![C7V C7V](https://data.pdbj.org/pdbjplus/data/cc/svg/C7V.svg) | C7V | 表記: | 4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide | 組成式: | C20 H15 F3 N4 O2 | SMILES: | c1cc(C(F)(F)F)ccc1Cn3nc(NC(=O)c2oncc2C)c4ccccc34 | InChi: | InChI=1S/C20H15F3N4O2/c1-12-10-24-29-17(12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-8-14(9-7-13)20(21,22)23/h2-10H,11H2,1H3,(H,25,26,28) | 定義日: | 2017-09-18 | 最終更新日: | 2018-04-13 | 公開日: | 2018-04-18 | 識別子(ID): | 4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide |
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![V2C V2C](https://data.pdbj.org/pdbjplus/data/cc/svg/V2C.svg) | V2C | 表記: | methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate | 組成式: | C22 H23 Cl N2 O5 | SMILES: | Oc1cc(O)c(c(c1C(=O)OC)CCc2nccn2Cc3ccccc3OCC)Cl | InChi: | InChI=1S/C22H23ClN2O5/c1-3-30-18-7-5-4-6-14(18)13-25-11-10-24-19(25)9-8-15-20(22(28)29-2)16(26)12-17(27)21(15)23/h4-7,10-12,26-27H,3,8-9,13H2,1-2H3 | 定義日: | 2017-08-28 | 最終更新日: | 2018-04-13 | 公開日: | 2018-04-18 | 識別子(ID): | methyl 3-chloro-2-(2-{1-[(2-ethoxyphenyl)methyl]-1H-imidazol-2-yl}ethyl)-4,6-dihydroxybenzoate |
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![VC4 VC4](https://data.pdbj.org/pdbjplus/data/cc/svg/VC4.svg) | VC4 | 表記: | methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate | 組成式: | C22 H20 Cl N O4 | SMILES: | Oc1cc(O)c(c(c1C(=O)OC)CCc3c(Cc2ccccc2)nccc3)Cl | InChi: | InChI=1S/C22H20ClNO4/c1-28-22(27)20-16(21(23)19(26)13-18(20)25)10-9-15-8-5-11-24-17(15)12-14-6-3-2-4-7-14/h2-8,11,13,25-26H,9-10,12H2,1H3 | 定義日: | 2017-08-28 | 最終更新日: | 2018-04-13 | 公開日: | 2018-04-18 | 識別子(ID): | methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate |
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![EMS EMS](https://data.pdbj.org/pdbjplus/data/cc/svg/EMS.svg) | EMS | 表記: | (2E,3E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pent-3-enoic acid | 組成式: | C14 H20 N5 O7 P | SMILES: | C=1(NC=C(C(C=1O)=CN=C(/C=C/CNC(=N)N)C(O)=O)COP(O)(O)=O)C | InChi: | InChI=1S/C14H20N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h2-3,5-6,18,20H,4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b3-2+,10-6-,19-11+ | 定義日: | 2018-01-22 | 最終更新日: | 2018-04-09 | 公開日: | 2018-03-07 | 識別子(ID): | (2E,3E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pent-3-enoic acid |
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![CQ5 CQ5](https://data.pdbj.org/pdbjplus/data/cc/svg/CQ5.svg) | CQ5 | 表記: | 3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one | 組成式: | C26 H37 N5 O3 | SMILES: | C[CH](CC(=O)N1CCC(O)(CC1)CN2C=NC(=CC2=O)NCCN3CCCC3)c4ccccc4 | InChi: | InChI=1S/C26H37N5O3/c1-21(22-7-3-2-4-8-22)17-24(32)30-14-9-26(34,10-15-30)19-31-20-28-23(18-25(31)33)27-11-16-29-12-5-6-13-29/h2-4,7-8,18,20-21,27,34H,5-6,9-17,19H2,1H3/t21-/m1/s1 | 定義日: | 2017-12-01 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | 3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one |
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![Y50 Y50](https://data.pdbj.org/pdbjplus/data/cc/svg/Y50.svg) | Y50 | 表記: | E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one | 組成式: | C22 H23 N O4 | SMILES: | COc1ccc(C=CC(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1N | InChi: | InChI=1S/C22H23NO4/c1-22(2)12-11-16-19(25-3)10-7-15(21(16)27-22)18(24)8-5-14-6-9-20(26-4)17(23)13-14/h5-13H,23H2,1-4H3/b8-5+ | 定義日: | 2017-10-19 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | (~{E})-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one |
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![FE7 FE7](https://data.pdbj.org/pdbjplus/data/cc/svg/FE7.svg) | FE7 | 表記: | N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide | 組成式: | C29 H32 N4 O3 S | SMILES: | c15c(NC(=O)C/1=C(c2ccccc2)Nc3ccc(cc3)CN4CCCCC4)ccc(c5)NS(CC)(=O)=O | InChi: | InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27- | 定義日: | 2018-03-26 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide |
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![E0Y E0Y](https://data.pdbj.org/pdbjplus/data/cc/svg/E0Y.svg) | E0Y | 表記: | (3S,5R)-5-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-({(3R)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-L-proline | 組成式: | C15 H27 N3 O4 S | SMILES: | O=C(O)C1C(CC(N1)C(C(O)C)CO)SC2CN(CC2)/C(=N)C | InChi: | InChI=1S/C15H27N3O4S/c1-8(20)11(7-19)12-5-13(14(17-12)15(21)22)23-10-3-4-18(6-10)9(2)16/h8,10-14,16-17,19-20H,3-7H2,1-2H3,(H,21,22)/b16-9+/t8-,10-,11-,12-,13+,14+/m1/s1 | 定義日: | 2017-11-22 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | (3S,5R)-5-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-({(3R)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-L-proline |
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![EN8 EN8](https://data.pdbj.org/pdbjplus/data/cc/svg/EN8.svg) | EN8 | 表記: | (2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine | 組成式: | C12 H17 N O4 | SMILES: | CO[C]1(C)Oc2ccc(N)cc2O[C]1(C)OC | InChi: | InChI=1S/C12H17NO4/c1-11(14-3)12(2,15-4)17-10-7-8(13)5-6-9(10)16-11/h5-7H,13H2,1-4H3/t11-,12-/m1/s1 | 定義日: | 2018-04-02 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | (2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine |
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![DV2 DV2](https://data.pdbj.org/pdbjplus/data/cc/svg/DV2.svg) | DV2 | 表記: | ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide | 組成式: | C21 H26 N4 O3 S2 | SMILES: | C[CH](NC(C)=O)C(=O)N1C[CH](O)C[CH]1C(=S)NCc2ccc(cc2)c3scnc3C | InChi: | InChI=1S/C21H26N4O3S2/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(29)18-8-17(27)10-25(18)21(28)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,29)(H,24,26)/t13-,17+,18-/m0/s1 | 定義日: | 2018-02-01 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide |
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![DV5 DV5](https://data.pdbj.org/pdbjplus/data/cc/svg/DV5.svg) | DV5 | 表記: | (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanethioyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | 組成式: | C21 H26 N4 O3 S2 | SMILES: | C[CH](NC(C)=O)C(=S)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3scnc3C | InChi: | InChI=1S/C21H26N4O3S2/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1 | 定義日: | 2018-02-01 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanethioyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![DV8 DV8](https://data.pdbj.org/pdbjplus/data/cc/svg/DV8.svg) | DV8 | 表記: | ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-sulfanylidene-propan-2-yl]ethanamide | 組成式: | C21 H26 N4 O2 S3 | SMILES: | C[CH](NC(C)=O)C(=S)N1C[CH](O)C[CH]1C(=S)NCc2ccc(cc2)c3scnc3C | InChi: | InChI=1S/C21H26N4O2S3/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1 | 定義日: | 2018-02-01 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-sulfanylidene-propan-2-yl]ethanamide |
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![EZS EZS](https://data.pdbj.org/pdbjplus/data/cc/svg/EZS.svg) | EZS | 表記: | 1-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-imidazol-4-yl}ethan-1-one | 組成式: | C13 H13 F N2 O | SMILES: | C(c1cn(c(n1)C)Cc2ccc(cc2)F)(C)=O | InChi: | InChI=1S/C13H13FN2O/c1-9(17)13-8-16(10(2)15-13)7-11-3-5-12(14)6-4-11/h3-6,8H,7H2,1-2H3 | 定義日: | 2018-02-19 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | 1-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-imidazol-4-yl}ethan-1-one |
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![3XQ 3XQ](https://data.pdbj.org/pdbjplus/data/cc/svg/3XQ.svg) | 3XQ | 表記: | (2S)-2,3-dihydroxypropyl octadecanoate | 組成式: | C21 H42 O4 | SMILES: | O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m0/s1 | 定義日: | 2014-12-08 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | (2S)-2,3-dihydroxypropyl octadecanoate |
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![8WX 8WX](https://data.pdbj.org/pdbjplus/data/cc/svg/8WX.svg) | 8WX | 表記: | 2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile | 組成式: | C17 H15 N3 O | SMILES: | Cc1nc2n(cccc2OCc3ccccc3)c1CC#N | InChi: | InChI=1S/C17H15N3O/c1-13-15(9-10-18)20-11-5-8-16(17(20)19-13)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1H3 | 定義日: | 2017-10-20 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | 2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile |
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![8X0 8X0](https://data.pdbj.org/pdbjplus/data/cc/svg/8X0.svg) | 8X0 | 表記: | (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one | 組成式: | C22 H22 O4 | SMILES: | COc1ccc(C=CC(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1 | InChi: | InChI=1S/C22H22O4/c1-22(2)14-13-18-20(25-4)12-10-17(21(18)26-22)19(23)11-7-15-5-8-16(24-3)9-6-15/h5-14H,1-4H3/b11-7+ | 定義日: | 2017-10-25 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | (~{E})-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one |
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![NS0 NS0](https://data.pdbj.org/pdbjplus/data/cc/svg/NS0.svg) | NS0 | 表記: | all-trans-1,2-dihydroneurosporene | 組成式: | C40 H60 | SMILES: | CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C | InChi: | InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19,21-22,25-31,34H,13-14,18,20,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ | 定義日: | 2017-11-13 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | (6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26-undecaene |
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![9XB 9XB](https://data.pdbj.org/pdbjplus/data/cc/svg/9XB.svg) | 9XB | 表記: | Pamamycin 607 | 組成式: | C35 H61 N O7 | SMILES: | CCC[CH]1C[CH]2CC[CH](O2)[CH](C)C(=O)O[CH]([CH](C)[CH]3CC[CH](C[CH](CCC)N(C)C)O3)[CH](C)[CH]4CC[CH](O4)[CH](C)C(=O)O1 | InChi: | InChI=1S/C35H61NO7/c1-9-11-25(36(7)8)19-27-13-15-29(39-27)21(3)33-22(4)30-17-18-32(42-30)24(6)34(37)41-26(12-10-2)20-28-14-16-31(40-28)23(5)35(38)43-33/h21-33H,9-20H2,1-8H3/t21-,22-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+/m1/s1 | 定義日: | 2017-07-24 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | (1~{R},2~{S},5~{S},6~{R},7~{S},10~{R},11~{R},14~{S},16~{S})-5-[(1~{R})-1-[(2~{R},5~{S})-5-[(2~{R})-2-(dimethylamino)pentyl]oxolan-2-yl]ethyl]-2,6,11-trimethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1^{7,10}]icosane-3,12-dione |
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![AEZ AEZ](https://data.pdbj.org/pdbjplus/data/cc/svg/AEZ.svg) | AEZ | 表記: | (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol | 組成式: | C8 H12 N2 O4 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)c2nc[nH]c12 | InChi: | InChI=1S/C8H12N2O4/c11-1-3-4-5(10-2-9-4)7(13)8(14)6(3)12/h2-3,6-8,11-14H,1H2,(H,9,10)/t3-,6+,7-,8-/m0/s1 | 定義日: | 2017-08-18 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol |
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![D6T D6T](https://data.pdbj.org/pdbjplus/data/cc/svg/D6T.svg) | D6T | 表記: | ~{N}-[5-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1~{H}-isoquinolin-2-yl]ethyl]phenyl]-1,2,3-triazol-4-yl]-2-propanoyl-phenyl]quinoline-2-carboxamide | 組成式: | C46 H50 N6 O7 | SMILES: | CCC(=O)c1ccc(cc1NC(=O)c2ccc3ccccc3n2)c4cn(nn4)c5ccc(CCN6CCc7cc(OC)c(OCCOCCOCCOC)cc7C6)cc5 | InChi: | InChI=1S/C46H50N6O7/c1-4-43(53)38-15-11-35(27-41(38)48-46(54)40-16-12-33-7-5-6-8-39(33)47-40)42-31-52(50-49-42)37-13-9-32(10-14-37)17-19-51-20-18-34-28-44(56-3)45(29-36(34)30-51)59-26-25-58-24-23-57-22-21-55-2/h5-16,27-29,31H,4,17-26,30H2,1-3H3,(H,48,54) | 定義日: | 2018-01-03 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | ~{N}-[5-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1~{H}-isoquinolin-2-yl]ethyl]phenyl]-1,2,3-triazol-4-yl]-2-propanoyl-phenyl]quinoline-2-carboxamide |
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![BWQ BWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/BWQ.svg) | BWQ | 表記: | ~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate | 組成式: | C30 H41 N3 O5 | SMILES: | CC(C)C[CH]1N2[CH](Cc3c1[nH]c4cc(OC5CCCC5)ccc34)C(=O)N[CH](CCC(=O)OC(C)(C)C)C2=O | InChi: | InChI=1S/C30H41N3O5/c1-17(2)14-24-27-21(20-11-10-19(15-23(20)31-27)37-18-8-6-7-9-18)16-25-28(35)32-22(29(36)33(24)25)12-13-26(34)38-30(3,4)5/h10-11,15,17-18,22,24-25,31H,6-9,12-14,16H2,1-5H3,(H,32,35)/t22-,24-,25-/m0/s1 | 定義日: | 2017-10-27 | 最終更新日: | 2018-04-06 | 公開日: | 2018-04-11 | 識別子(ID): | ~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate |
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