![OVY OVY](https://data.pdbj.org/pdbjplus/data/cc/svg/OVY.svg) | OVY | 表記: | (2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name) | 組成式: | C11 H20 N2 O9 | SMILES: | C(NC(C(C(C(CO)O)O)O)C(C/C(C(O)=O)=NO)O)(C)=O | InChi: | InChI=1S/C11H20N2O9/c1-4(15)12-8(10(19)9(18)7(17)3-14)6(16)2-5(13-22)11(20)21/h6-10,14,16-19,22H,2-3H2,1H3,(H,12,15)(H,20,21)/b13-5+/t6-,7+,8+,9+,10+/m0/s1 | 定義日: | 2019-07-10 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | (2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name) |
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![LO5 LO5](https://data.pdbj.org/pdbjplus/data/cc/svg/LO5.svg) | LO5 | 表記: | 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine | 組成式: | C13 H17 N O3 | SMILES: | C1CO[CH](C1)CNCc2ccc3OCOc3c2 | InChi: | InChI=1S/C13H17NO3/c1-2-11(15-5-1)8-14-7-10-3-4-12-13(6-10)17-9-16-12/h3-4,6,11,14H,1-2,5,7-9H2/t11-/m1/s1 | 定義日: | 2019-08-28 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine |
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![LOE LOE](https://data.pdbj.org/pdbjplus/data/cc/svg/LOE.svg) | LOE | 表記: | 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine | 組成式: | C14 H25 N O2 | SMILES: | C1CCN(CC1)C[CH]2COC3(CCCCC3)O2 | InChi: | InChI=1S/C14H25NO2/c1-3-7-14(8-4-1)16-12-13(17-14)11-15-9-5-2-6-10-15/h13H,1-12H2/t13-/m0/s1 | 定義日: | 2019-08-29 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine |
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![LOW LOW](https://data.pdbj.org/pdbjplus/data/cc/svg/LOW.svg) | LOW | 表記: | (5~{S},7~{R})-3-azanyladamantan-1-ol | 組成式: | C10 H17 N O | SMILES: | NC12C[CH]3C[CH](C1)CC(O)(C3)C2 | InChi: | InChI=1S/C10H17NO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6,11H2/t7-,8+,9+,10- | 定義日: | 2019-08-30 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | (5~{S},7~{R})-3-azanyladamantan-1-ol |
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![LPZ LPZ](https://data.pdbj.org/pdbjplus/data/cc/svg/LPZ.svg) | LPZ | 表記: | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone | 組成式: | C14 H21 N2 O2 | SMILES: | C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2 | InChi: | InChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3/p+1 | 定義日: | 2019-08-30 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone |
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![OE7 OE7](https://data.pdbj.org/pdbjplus/data/cc/svg/OE7.svg) | OE7 | 表記: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid | 組成式: | C21 H16 Cl N5 O4 | SMILES: | N=2c1ncc(c1C(=O)NC=2N)Cc3ccc(cc3)C(=O)Nc4cc(Cl)ccc4C(O)=O | InChi: | InChI=1S/C21H16ClN5O4/c22-13-5-6-14(20(30)31)15(8-13)25-18(28)11-3-1-10(2-4-11)7-12-9-24-17-16(12)19(29)27-21(23)26-17/h1-6,8-9H,7H2,(H,25,28)(H,30,31)(H4,23,24,26,27,29) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid |
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![OEA OEA](https://data.pdbj.org/pdbjplus/data/cc/svg/OEA.svg) | OEA | 表記: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid | 組成式: | C22 H19 N5 O5 | SMILES: | c1cc(ccc1Cc3c2C(=O)NC(=Nc2nc3)N)C(Nc4cc(OC)ccc4C(O)=O)=O | InChi: | InChI=1S/C22H19N5O5/c1-32-14-6-7-15(21(30)31)16(9-14)25-19(28)12-4-2-11(3-5-12)8-13-10-24-18-17(13)20(29)27-22(23)26-18/h2-7,9-10H,8H2,1H3,(H,25,28)(H,30,31)(H4,23,24,26,27,29) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid |
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![OED OED](https://data.pdbj.org/pdbjplus/data/cc/svg/OED.svg) | OED | 表記: | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid | 組成式: | C23 H21 N5 O5 | SMILES: | O=C4c3c(ncc3Cc1ccc(cc1)C(=O)Nc2cc(ccc2CC(O)=O)OC)N=C(N4)N | InChi: | InChI=1S/C23H21N5O5/c1-33-16-7-6-14(9-18(29)30)17(10-16)26-21(31)13-4-2-12(3-5-13)8-15-11-25-20-19(15)22(32)28-23(24)27-20/h2-7,10-11H,8-9H2,1H3,(H,26,31)(H,29,30)(H4,24,25,27,28,32) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid |
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![OEJ OEJ](https://data.pdbj.org/pdbjplus/data/cc/svg/OEJ.svg) | OEJ | 表記: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid | 組成式: | C22 H17 N5 O6 | SMILES: | C(c1ccc(cc1)Cc2cnc3c2C(=O)NC(=N3)N)(Nc4cc(C(O)=O)ccc4C(O)=O)=O | InChi: | InChI=1S/C22H17N5O6/c23-22-26-17-16(19(29)27-22)13(9-24-17)7-10-1-3-11(4-2-10)18(28)25-15-8-12(20(30)31)5-6-14(15)21(32)33/h1-6,8-9H,7H2,(H,25,28)(H,30,31)(H,32,33)(H4,23,24,26,27,29) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid |
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![OEP OEP](https://data.pdbj.org/pdbjplus/data/cc/svg/OEP.svg) | OEP | 表記: | 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid | 組成式: | C23 H19 N5 O6 | SMILES: | c14c(c(cn1)Cc2ccc(cc2)C(Nc3c(CC(O)=O)ccc(c3)C(O)=O)=O)C(=O)NC(=N4)N | InChi: | InChI=1S/C23H19N5O6/c24-23-27-19-18(21(32)28-23)15(10-25-19)7-11-1-3-12(4-2-11)20(31)26-16-8-14(22(33)34)6-5-13(16)9-17(29)30/h1-6,8,10H,7,9H2,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid |
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![OF4 OF4](https://data.pdbj.org/pdbjplus/data/cc/svg/OF4.svg) | OF4 | 表記: | 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid | 組成式: | C22 H19 N5 O4 | SMILES: | c1cc(ccc1C(NCc2ccccc2C(O)=O)=O)Cc3c4c(nc3)N=C(NC4=O)N | InChi: | InChI=1S/C22H19N5O4/c23-22-26-18-17(20(29)27-22)15(11-24-18)9-12-5-7-13(8-6-12)19(28)25-10-14-3-1-2-4-16(14)21(30)31/h1-8,11H,9-10H2,(H,25,28)(H,30,31)(H4,23,24,26,27,29) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid |
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![OF7 OF7](https://data.pdbj.org/pdbjplus/data/cc/svg/OF7.svg) | OF7 | 表記: | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid | 組成式: | C22 H19 N5 O4 | SMILES: | N1=C(NC(=O)c2c1ncc2Cc3ccc(cc3)C(=O)Nc4ccccc4CC(=O)O)N | InChi: | InChI=1S/C22H19N5O4/c23-22-26-19-18(21(31)27-22)15(11-24-19)9-12-5-7-13(8-6-12)20(30)25-16-4-2-1-3-14(16)10-17(28)29/h1-8,11H,9-10H2,(H,25,30)(H,28,29)(H4,23,24,26,27,31) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid |
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![OFD OFD](https://data.pdbj.org/pdbjplus/data/cc/svg/OFD.svg) | OFD | 表記: | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid | 組成式: | C23 H18 N6 O4 | SMILES: | O=C1c2c(N=C(N1)N)ncc2Cc3ccc(cc3)C(=O)Nc4cc(ccc4CC(=O)O)C#N | InChi: | InChI=1S/C23H18N6O4/c24-10-13-3-6-15(9-18(30)31)17(8-13)27-21(32)14-4-1-12(2-5-14)7-16-11-26-20-19(16)22(33)29-23(25)28-20/h1-6,8,11H,7,9H2,(H,27,32)(H,30,31)(H4,25,26,28,29,33) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid |
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![OFJ OFJ](https://data.pdbj.org/pdbjplus/data/cc/svg/OFJ.svg) | OFJ | 表記: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid | 組成式: | C22 H18 N6 O5 | SMILES: | c14c(c(cn1)Cc2ccc(cc2)C(Nc3c(C(=O)O)ccc(C(N)=O)c3)=O)C(NC(=N4)N)=O | InChi: | InChI=1S/C22H18N6O5/c23-17(29)12-5-6-14(21(32)33)15(8-12)26-19(30)11-3-1-10(2-4-11)7-13-9-25-18-16(13)20(31)28-22(24)27-18/h1-6,8-9H,7H2,(H2,23,29)(H,26,30)(H,32,33)(H4,24,25,27,28,31) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid |
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![OG1 OG1](https://data.pdbj.org/pdbjplus/data/cc/svg/OG1.svg) | OG1 | 表記: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid | 組成式: | C22 H16 N6 O4 | SMILES: | c14c(c(cn1)Cc2ccc(cc2)C(Nc3cc(ccc3C(=O)O)C#N)=O)C(=O)NC(=N4)N | InChi: | InChI=1S/C22H16N6O4/c23-9-12-3-6-15(21(31)32)16(8-12)26-19(29)13-4-1-11(2-5-13)7-14-10-25-18-17(14)20(30)28-22(24)27-18/h1-6,8,10H,7H2,(H,26,29)(H,31,32)(H4,24,25,27,28,30) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid |
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![OG4 OG4](https://data.pdbj.org/pdbjplus/data/cc/svg/OG4.svg) | OG4 | 表記: | 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid | 組成式: | C23 H21 N5 O4 | SMILES: | c14c(C(=O)NC(=N1)N)c(Cc2ccc(cc2)C(Nc3ccccc3CCC(O)=O)=O)cn4 | InChi: | InChI=1S/C23H21N5O4/c24-23-27-20-19(22(32)28-23)16(12-25-20)11-13-5-7-15(8-6-13)21(31)26-17-4-2-1-3-14(17)9-10-18(29)30/h1-8,12H,9-11H2,(H,26,31)(H,29,30)(H4,24,25,27,28,32) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid |
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![OG7 OG7](https://data.pdbj.org/pdbjplus/data/cc/svg/OG7.svg) | OG7 | 表記: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid | 組成式: | C21 H17 N5 O4 | SMILES: | c1cc(ccc1C(Nc2ccccc2C(=O)O)=O)Cc4c3c(NC(=NC3=O)N)nc4 | InChi: | InChI=1S/C21H17N5O4/c22-21-25-17-16(19(28)26-21)13(10-23-17)9-11-5-7-12(8-6-11)18(27)24-15-4-2-1-3-14(15)20(29)30/h1-8,10H,9H2,(H,24,27)(H,29,30)(H4,22,23,25,26,28) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid |
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![A6O A6O](https://data.pdbj.org/pdbjplus/data/cc/svg/A6O.svg) | A6O | 表記: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one | 組成式: | C20 H26 O3 | SMILES: | CC[C]1(CC=C2CCCc3cc(OC)ccc23)[CH](O)CCC1=O | InChi: | InChI=1S/C20H26O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13,18,21H,3-6,9-10,12H2,1-2H3/b14-11+/t18-,20+/m0/s1 | 定義日: | 2018-10-10 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | (2~{R},3~{S})-2-ethyl-2-[(2~{E})-2-(6-methoxy-3,4-dihydro-2~{H}-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one |
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![SRV SRV](https://data.pdbj.org/pdbjplus/data/cc/svg/SRV.svg) | SRV | 表記: | (2S)-2-(heptadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl alpha-D-glucopyranosiduronic acid | 組成式: | C45 H84 O11 | SMILES: | OC1C(O)C(O)C(OC1C(O)=O)OCC(COC(=O)CCCCCCCCC(CCCCCCCC)C)OC(=O)CCCCCCCCCCCCCCCC | InChi: | InChI=1S/C45H84O11/c1-4-6-8-10-12-13-14-15-16-17-18-19-25-29-33-39(47)55-37(35-54-45-42(50)40(48)41(49)43(56-45)44(51)52)34-53-38(46)32-28-24-21-20-23-27-31-36(3)30-26-22-11-9-7-5-2/h36-37,40-43,45,48-50H,4-35H2,1-3H3,(H,51,52)/t36-,37+,40-,41-,42+,43-,45-/m0/s1 | 定義日: | 2018-10-18 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | (2S)-2-(heptadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl alpha-D-glucopyranosiduronic acid |
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![C8O C8O](https://data.pdbj.org/pdbjplus/data/cc/svg/C8O.svg) | C8O | 表記: | 2-(2-azanylethylamino)-5-nitro-benzoic acid | 組成式: | C9 H11 N3 O4 | SMILES: | NCCNc1ccc(cc1C(O)=O)[N+]([O-])=O | InChi: | InChI=1S/C9H11N3O4/c10-3-4-11-8-2-1-6(12(15)16)5-7(8)9(13)14/h1-2,5,11H,3-4,10H2,(H,13,14) | 定義日: | 2019-04-15 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-(2-azanylethylamino)-5-nitro-benzoic acid |
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![GCE GCE](https://data.pdbj.org/pdbjplus/data/cc/svg/GCE.svg) | GCE | 表記: | (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide | 組成式: | C20 H22 F2 N4 O2 S | SMILES: | CON(C)C(=O)N1N=C(S[C]1(CCCN)c2ccccc2)c3cc(F)ccc3F | InChi: | InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1 | 定義日: | 2018-09-12 | 最終更新日: | 2019-09-20 | 公開日: | 2019-09-25 | 識別子(ID): | (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide |
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![J48 J48](https://data.pdbj.org/pdbjplus/data/cc/svg/J48.svg) | J48 | 表記: | CMBL3a | 組成式: | C26 H26 N7 O4 | SMILES: | O=C1Nc2ccc3ccc(C[NH2+]Cc4ccc5ccc(NC(=O)OCCC=CCCO1)nc5n4)nc3n2 | InChi: | InChI=1S/C26H25N7O4/c34-25-32-21-11-7-17-5-9-19(28-23(17)30-21)15-27-16-20-10-6-18-8-12-22(31-24(18)29-20)33-26(35)37-14-4-2-1-3-13-36-25/h1-2,5-12,27H,3-4,13-16H2,(H,28,30,32,34)(H,29,31,33,35)/p+1/b2-1+ | 定義日: | 2019-01-22 | 最終更新日: | 2019-09-20 | 公開日: | 2019-09-25 |
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![J4H J4H](https://data.pdbj.org/pdbjplus/data/cc/svg/J4H.svg) | J4H | 表記: | CMBL4 | 組成式: | C26 H29 N8 O4 | SMILES: | O=C1Nc2ccc3ccc(C[NH2+]Cc4ccc5ccc(NC(=O)OCCCNCCCO1)nc5n4)nc3n2 | InChi: | InChI=1S/C26H28N8O4/c35-25-33-21-9-5-17-3-7-19(29-23(17)31-21)15-28-16-20-8-4-18-6-10-22(32-24(18)30-20)34-26(36)38-14-2-12-27-11-1-13-37-25/h3-10,27-28H,1-2,11-16H2,(H,29,31,33,35)(H,30,32,34,36)/p+1 | 定義日: | 2019-01-24 | 最終更新日: | 2019-09-20 | 公開日: | 2019-09-25 |
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![L0T L0T](https://data.pdbj.org/pdbjplus/data/cc/svg/L0T.svg) | L0T | 表記: | 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate | 組成式: | C82 H44 N16 O34 S8 | SMILES: | CC(=O)Nc1cccc2c(cc(nc12)C(=O)Nc3cccc4c(cc(nc34)C(=O)Nc5cccc6c(cc(nc56)C(=O)Nc7cccc8c(cc(nc78)C(=O)Nc9cccc%10c(cc(nc9%10)C(=O)Nc%11cccc%12c(cc(nc%11%12)C(=O)Nc%13cccc%14c(cc(nc%13%14)C(=O)Nc%15cccc%16c(cc(nc%15%16)C(O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O | InChi: | InChI=1S/C82H52N16O34S8/c1-34(99)83-43-18-2-10-35-59(133(109,110)111)26-51(84-67(35)43)75(100)92-44-19-3-11-36-60(134(112,113)114)27-52(85-68(36)44)76(101)93-45-20-4-12-37-61(135(115,116)117)28-53(86-69(37)45)77(102)94-46-21-5-13-38-62(136(118,119)120)29-54(87-70(38)46)78(103)95-47-22-6-14-39-63(137(121,122)123)30-55(88-71(39)47)79(104)96-48-23-7-15-40-64(138(124,125)126)31-56(89-72(40)48)80(105)97-49-24-8-16-41-65(139(127,128)129)32-57(90-73(41)49)81(106)98-50-25-9-17-42-66(140(130,131)132)33-58(82(107)108)91-74(42)50/h2-33H,1H3,(H,83,99)(H,92,100)(H,93,101)(H,94,102)(H,95,103)(H,96,104)(H,97,105)(H,98,106)(H,107,108)(H,109,110,111)(H,112,113,114)(H,115,116,117)(H,118,119,120)(H,121,122,123)(H,124,125,126)(H,127,128,129)(H,130,131,132)/p-8 | 定義日: | 2019-07-11 | 最終更新日: | 2019-09-20 | 公開日: | 2019-09-25 | 識別子(ID): | 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate |
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![L0W L0W](https://data.pdbj.org/pdbjplus/data/cc/svg/L0W.svg) | L0W | 表記: | lipopolysaccharide fragment | 組成式: | C95 H182 N2 O25 P2 | SMILES: | CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](OC[CH](CO)O[CH](O[P](O)(O)=O)[CH](COC(=O)C[CH](O)CCCCCCCCCCC)NC(=O)C[CH](O)CCCCCCCCCCC)O[CH](COC)[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C95H182N2O25P2/c1-8-14-20-26-32-38-39-45-51-57-63-69-88(104)117-81(67-61-55-49-43-36-30-24-18-12-5)73-90(106)120-93-91(97-86(102)72-80(66-60-54-48-42-35-29-23-17-11-4)116-87(103)68-62-56-50-44-37-31-25-19-13-6)95(119-84(77-113-7)92(93)121-123(107,108)109)115-75-82(74-98)118-94(122-124(110,111)112)83(96-85(101)70-78(99)64-58-52-46-40-33-27-21-15-9-2)76-114-89(105)71-79(100)65-59-53-47-41-34-28-22-16-10-3/h78-84,91-95,98-100H,8-77H2,1-7H3,(H,96,101)(H,97,102)(H2,107,108,109)(H2,110,111,112)/t78-,79-,80-,81-,82+,83-,84-,91-,92-,93-,94-,95-/m1/s1 | 定義日: | 2019-07-11 | 最終更新日: | 2019-09-20 | 公開日: | 2019-09-25 | 識別子(ID): | [(2~{R},3~{R})-3-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-(methoxymethyl)-5-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxy-3-oxidanyl-propan-2-yl]oxy-2-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-propyl] (3~{R})-3-oxidanyltetradecanoate |
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