 | | OIM | | 表記: | [(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | | 組成式: | C21 H26 N4 O6 | | SMILES: | O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)C(C)CC | | InChi: | InChI=1S/C21H26N4O6/c1-4-11(2)18(22)21(30)24-17(12(3)31-21)19-23-15(20(29)25(19)10-16(27)28)9-13-5-7-14(26)8-6-13/h5-9,11-12,18,26,30H,4,10,22H2,1-3H3,(H,27,28)/b15-9-/t11-,12+,18-,21+/m0/s1 | | 別名: | PEPTIDE DERIVED CHROMOPHORE | | 定義日: | 2014-04-30 | | 最終更新日: | 2023-11-03 | | 公開日: | 2014-07-08 | | 識別子（ID）: | [(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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 | | 2LT | | 表記: | 3,5-dichloro-L-tyrosine | | 組成式: | C9 H9 Cl2 N O3 | | SMILES: | Clc1cc(cc(Cl)c1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 | | 定義日: | 2013-12-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2014-09-24 | | 識別子（ID）: | 3,5-dichloro-L-tyrosine |
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 | | 2ML | | 表記: | 2-METHYLLEUCINE | | 組成式: | C7 H15 N O2 | | SMILES: | O=C(O)C(N)(C)CC(C)C | | InChi: | InChI=1S/C7H15NO2/c1-5(2)4-7(3,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1 | | 定義日: | 2001-02-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 2-methyl-L-leucine |
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 | | 2MR | | 表記: | N3, N4-DIMETHYLARGININE | | 組成式: | C8 H18 N4 O2 | | SMILES: | O=C(O)C(N)CCCNC(=N/C)NC | | InChi: | InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1 | | 定義日: | 2000-11-03 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | N~5~-(N,N'-dimethylcarbamimidoyl)-L-ornithine |
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 | | 2MT | | 表記: | (4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID | | 組成式: | C6 H11 N O2 S | | SMILES: | O=C(O)C1NC(SC1)(C)C | | InChi: | InChI=1S/C6H11NO2S/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1 | | 別名: | 2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID | | 定義日: | 2004-02-16 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | OK9 | | 表記: | N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide | | 組成式: | C16 H16 N2 O3 S2 | | SMILES: | O=CC(NC(=O)c1cccs1)=Cc1ccc(s1)N1CCOCC1 | | InChi: | InChI=1S/C16H16N2O3S2/c19-11-12(17-16(20)14-2-1-9-22-14)10-13-3-4-15(23-13)18-5-7-21-8-6-18/h1-4,9-11H,5-8H2,(H,17,20)/b12-10- | | 定義日: | 2023-08-17 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide |
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 | | OKW | | 表記: | 2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide | | 組成式: | C16 H15 Cl N2 O | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2CCCc21 | | InChi: | InChI=1S/C16H15ClN2O/c17-13-5-1-3-11(7-13)8-16(20)19-15-10-18-9-12-4-2-6-14(12)15/h1,3,5,7,9-10H,2,4,6,8H2,(H,19,20) | | 定義日: | 2023-08-17 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide |
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 | | OLT | | 表記: | O-METHYL-L-THREONINE | | 組成式: | C5 H11 N O3 | | SMILES: | O=C(O)C(N)C(OC)C | | InChi: | InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m1/s1 | | 定義日: | 2005-09-02 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | O-methyl-L-threonine |
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 | | OLX | | 表記: | [(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid | | 組成式: | C12 H13 N O4 | | SMILES: | O=C(O)CN1c2ccc(cc2C(O)C1=O)CC | | InChi: | InChI=1S/C12H13NO4/c1-2-7-3-4-9-8(5-7)11(16)12(17)13(9)6-10(14)15/h3-5,11,16H,2,6H2,1H3,(H,14,15)/t11-/m1/s1 | | 定義日: | 2023-08-17 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | [(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid |
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 | | 2OP | | 表記: | (2S)-2-HYDROXYPROPANOIC ACID | | 組成式: | C3 H6 O3 | | SMILES: | O=C(O)C(O)C | | InChi: | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1 | | 定義日: | 2004-12-29 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (2S)-2-hydroxypropanoic acid |
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 | | 2OR | | 表記: | amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium | | 組成式: | C6 H15 N4 O4 | | SMILES: | O=C(O)C(N)C(O)C(O)CNC(=[NH2+])N | | InChi: | InChI=1S/C6H14N4O4/c7-3(5(13)14)4(12)2(11)1-10-6(8)9/h2-4,11-12H,1,7H2,(H,13,14)(H4,8,9,10)/p+1/t2-,3+,4+/m1/s1 | | 定義日: | 2013-08-28 | | 最終更新日: | 2023-11-03 | | 公開日: | 2014-06-25 | | 識別子（ID）: | amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium |
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 | | OMT | | 表記: | S-DIOXYMETHIONINE | | 組成式: | C5 H11 N O4 S | | SMILES: | O=S(=O)(C)CCC(C(=O)O)N | | InChi: | InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (2S)-2-amino-4-(methylsulfonyl)butanoic acid |
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 | | OMX | | 表記: | (betaR)-beta-hydroxy-L-Tyrosine | | 組成式: | C9 H11 N O4 | | SMILES: | O=C(O)C(N)C(O)c1ccc(O)cc1 | | InChi: | InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m0/s1 | | 定義日: | 2010-08-10 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (betaR)-beta-hydroxy-L-tyrosine |
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 | | OMY | | 表記: | (betaR)-3-chloro-beta-hydroxy-L-tyrosine | | 組成式: | C9 H10 Cl N O4 | | SMILES: | Clc1cc(ccc1O)C(O)C(C(=O)O)N | | InChi: | InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m0/s1 | | 定義日: | 2009-03-27 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (betaR)-3-chloro-beta-hydroxy-L-tyrosine |
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 | | OMZ | | 表記: | (betaR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE | | 組成式: | C9 H10 Cl N O4 | | SMILES: | Clc1cc(ccc1O)C(O)C(C(=O)O)N | | InChi: | InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8-/m1/s1 | | 定義日: | 2010-08-06 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (betaR)-3-chloro-beta-hydroxy-D-tyrosine |
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 | | ONL | | 表記: | 5-OXO-L-NORLEUCINE | | 組成式: | C6 H11 N O3 | | SMILES: | O=C(CCC(N)C(=O)O)C | | InChi: | InChI=1S/C6H11NO3/c1-4(8)2-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 5-oxo-L-norleucine |
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 | | ONU | | 表記: | 4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one | | 組成式: | C20 H19 N3 O3 | | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CC(Nc2ccccc2OC)C1 | | InChi: | InChI=1S/C20H19N3O3/c1-26-18-9-5-4-8-17(18)21-13-11-23(12-13)20(25)15-10-19(24)22-16-7-3-2-6-14(15)16/h2-10,13,21H,11-12H2,1H3,(H,22,24) | | 定義日: | 2023-08-17 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one |
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 | | OO1 | | 表記: | (4-methylphenyl)carbamic acid | | 組成式: | C8 H9 N O2 | | SMILES: | C(O)(=O)Nc1ccc(cc1)C | | InChi: | InChI=1S/C8H9NO2/c1-6-2-4-7(5-3-6)9-8(10)11/h2-5,9H,1H3,(H,10,11) | | 定義日: | 2019-07-01 | | 最終更新日: | 2023-11-03 | | 公開日: | 2019-11-06 | | 識別子（ID）: | (4-methylphenyl)carbamic acid |
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 | | OO6 | | 表記: | (3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | 組成式: | C20 H17 Cl N2 O2 | | SMILES: | Clc1ccc2OCC(C)C(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H17ClN2O2/c1-12-11-25-18-7-6-14(21)8-16(18)19(12)20(24)23-17-10-22-9-13-4-2-3-5-15(13)17/h2-10,12,19H,11H2,1H3,(H,23,24)/t12-,19-/m1/s1 | | 定義日: | 2023-08-17 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | (3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | 2QY | | 表記: | (2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid | | 組成式: | C10 H11 N O3 | | SMILES: | O=C(O)/C(=C/c1ccc(O)cc1)NC | | InChi: | InChI=1S/C10H11NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-6,11-12H,1H3,(H,13,14)/b9-6- | | 定義日: | 2014-01-09 | | 最終更新日: | 2023-11-03 | | 公開日: | 2014-04-02 | | 識別子（ID）: | (2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid |
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 | | 2QZ | | 表記: | N,N-dimethyl-L-threonine | | 組成式: | C6 H13 N O3 | | SMILES: | O=C(O)C(N(C)C)C(O)C | | InChi: | InChI=1S/C6H13NO3/c1-4(8)5(6(9)10)7(2)3/h4-5,8H,1-3H3,(H,9,10)/t4-,5+/m1/s1 | | 定義日: | 2014-01-10 | | 最終更新日: | 2023-11-03 | | 公開日: | 2014-04-02 | | 識別子（ID）: | N,N-dimethyl-L-threonine |
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 | | 2R1 | | 表記: | (2E)-2-amino-4-hydroxy-3-[(2R)-oxiran-2-yl]but-2-enoic acid | | 組成式: | C6 H9 N O4 | | SMILES: | O=C(O)/C(N)=C(/CO)C1OC1 | | InChi: | InChI=1S/C6H9NO4/c7-5(6(9)10)3(1-8)4-2-11-4/h4,8H,1-2,7H2,(H,9,10)/b5-3+/t4-/m0/s1 | | 定義日: | 2014-01-10 | | 最終更新日: | 2023-11-03 | | 公開日: | 2014-04-02 | | 識別子（ID）: | (2E)-2-amino-4-hydroxy-3-[(2R)-oxiran-2-yl]but-2-enoic acid |
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 | | 2R3 | | 表記: | (betaR)-beta-hydroxy-O-methyl-L-tyrosine | | 組成式: | C10 H13 N O4 | | SMILES: | O=C(O)C(N)C(O)c1ccc(OC)cc1 | | InChi: | InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1 | | 定義日: | 2014-01-10 | | 最終更新日: | 2023-11-03 | | 公開日: | 2014-04-02 | | 識別子（ID）: | (betaR)-beta-hydroxy-O-methyl-L-tyrosine |
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 | | OOL | | 表記: | (E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine | | 組成式: | C7 H9 N3 O2 | | SMILES: | N=Cc1nc(OC)cc(OC)n1 | | InChi: | InChI=1S/C7H9N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3-4,8H,1-2H3/b8-4+ | | 定義日: | 2023-08-17 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | (E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine |
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 | | 2RA | | 表記: | 3-amino-D-alanine | | 組成式: | C3 H8 N2 O2 | | SMILES: | O=C(O)C(N)CN | | InChi: | InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m1/s1 | | 別名: | diaminopropanoic acid | | 定義日: | 2010-09-27 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 3-amino-D-alanine |
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