 | | 41Q | | 表記: | 4-imino-L-homoserine | | 組成式: | C4 H8 N2 O3 | | SMILES: | O=C(O)C(N)CC(=[N@H])O | | InChi: | InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 | | 定義日: | 2015-01-15 | | 最終更新日: | 2023-11-03 | | 公開日: | 2015-10-07 | | 識別子（ID）: | 4-imino-L-homoserine |
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 | | OV4 | | 表記: | 2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide | | 組成式: | C23 H23 N5 O | | SMILES: | CN(C)c1ccc(cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 | | InChi: | InChI=1S/C23H23N5O/c1-26(2)19-12-14-20(15-13-19)27(16-18-8-4-3-5-9-18)23(29)17-28-22-11-7-6-10-21(22)24-25-28/h3-15H,16-17H2,1-2H3 | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide |
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 | | OV7 | | 表記: | (2R)-amino[(carboxymethyl)sulfanyl]acetic acid | | 組成式: | C4 H7 N O4 S | | SMILES: | NC(C(O)=O)SCC(O)=O | | InChi: | InChI=1S/C4H7NO4S/c5-3(4(8)9)10-1-2(6)7/h3H,1,5H2,(H,6,7)(H,8,9)/t3-/m1/s1 | | 定義日: | 2019-07-08 | | 最終更新日: | 2023-11-03 | | 公開日: | 2019-08-07 | | 識別子（ID）: | (2R)-amino[(carboxymethyl)sulfanyl]acetic acid |
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 | | OVF | | 表記: | 2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide | | 組成式: | C23 H22 Cl N5 O | | SMILES: | CN(C)c1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21 | | InChi: | InChI=1S/C23H22ClN5O/c1-27(2)19-10-12-20(13-11-19)28(15-17-6-5-7-18(24)14-17)23(30)16-29-22-9-4-3-8-21(22)25-26-29/h3-14H,15-16H2,1-2H3 | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide |
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 | | OVX | | 表記: | 1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one | | 組成式: | C20 H16 Cl N3 O2 | | SMILES: | O=C(c1cncc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1 | | InChi: | InChI=1S/C20H16ClN3O2/c21-15-5-3-6-16(10-15)24-9-8-23(13-19(24)25)20(26)18-12-22-11-14-4-1-2-7-17(14)18/h1-7,10-12H,8-9,13H2 | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one |
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 | | 42Y | | 表記: | O-propanoyl-L-serine | | 組成式: | C6 H11 N O4 | | SMILES: | O=C(OCC(C(=O)O)N)CC | | InChi: | InChI=1S/C6H11NO4/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1 | | 定義日: | 2015-01-23 | | 最終更新日: | 2023-11-03 | | 公開日: | 2016-01-27 | | 識別子（ID）: | O-propanoyl-L-serine |
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 | | 432 | | 表記: | O-butanoyl-L-serine | | 組成式: | C7 H13 N O4 | | SMILES: | O=C(OCC(C(=O)O)N)CCC | | InChi: | InChI=1S/C7H13NO4/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1 | | 定義日: | 2015-01-23 | | 最終更新日: | 2023-11-03 | | 公開日: | 2016-01-27 | | 識別子（ID）: | O-butanoyl-L-serine |
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 | | OWC | | 表記: | (3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one | | 組成式: | C20 H17 Cl N2 O | | SMILES: | Clc1cccc(c1)C1CCCN(c2cncc3ccccc23)C1=O | | InChi: | InChI=1S/C20H17ClN2O/c21-16-7-3-6-14(11-16)18-9-4-10-23(20(18)24)19-13-22-12-15-5-1-2-8-17(15)19/h1-3,5-8,11-13,18H,4,9-10H2/t18-/m0/s1 | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | (3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one |
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 | | OWF | | 表記: | (3S)-3-hydroxy-D-asparagine | | 組成式: | C4 H8 N2 O4 | | SMILES: | NC(=O)C(O)C(N)C(O)=O | | InChi: | InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2+/m1/s1 | | 定義日: | 2022-05-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-01-11 | | 識別子（ID）: | (3S)-3-hydroxy-D-asparagine |
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 | | OWX | | 表記: | 2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide | | 組成式: | C16 H16 Cl N3 O | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2NCCCc12 | | InChi: | InChI=1S/C16H16ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-15-10-18-9-14-13(15)5-2-6-19-14/h1,3-4,7,9-10,19H,2,5-6,8H2,(H,20,21) | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide |
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 | | 45F | | 表記: | (4S)-4-(prop-2-yn-1-yloxy)-L-proline | | 組成式: | C8 H11 N O3 | | SMILES: | O=C(O)C1NCC(OCC#C)C1 | | InChi: | InChI=1S/C8H11NO3/c1-2-3-12-6-4-7(8(10)11)9-5-6/h1,6-7,9H,3-5H2,(H,10,11)/t6-,7-/m0/s1 | | 定義日: | 2015-02-09 | | 最終更新日: | 2023-11-03 | | 公開日: | 2015-02-25 | | 識別子（ID）: | (4S)-4-(prop-2-yn-1-yloxy)-L-proline |
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 | | 45W | | 表記: | (4S)-4-(ethynyloxy)-D-proline | | 組成式: | C7 H9 N O3 | | SMILES: | O=C(O)C1NCC(OC#C)C1 | | InChi: | InChI=1S/C7H9NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h1,5-6,8H,3-4H2,(H,9,10)/t5-,6+/m0/s1 | | 定義日: | 2015-02-10 | | 最終更新日: | 2023-11-03 | | 公開日: | 2015-05-13 | | 識別子（ID）: | (4S)-4-(ethynyloxy)-D-proline |
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 | | DYG | | 表記: | (3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-2-yl]propanoic acid | | 組成式: | C15 H15 N3 O6 | | SMILES: | O=C(O)CC(N)C1=N/C(C(=O)N1CC(=O)O)=Cc2ccc(O)cc2 | | InChi: | InChI=1S/C15H15N3O6/c16-10(6-12(20)21)14-17-11(15(24)18(14)7-13(22)23)5-8-1-3-9(19)4-2-8/h1-5,10,19H,6-7,16H2,(H,20,21)(H,22,23)/b11-5-/t10-/m0/s1 | | 別名: | CHROMOPHORE (ASP-TYR-GLY) | | 定義日: | 2004-10-25 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (3S)-3-amino-3-{(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}propanoic acid |
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 | | DYL | | 表記: | (2R)-2-aminopent-4-enoic acid | | 組成式: | C5 H9 N O2 | | SMILES: | O=C(O)C(N)C/C=C | | InChi: | InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m1/s1 | | 定義日: | 2013-12-20 | | 最終更新日: | 2023-11-03 | | 公開日: | 2015-01-21 | | 識別子（ID）: | (2R)-2-aminopent-4-enoic acid |
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 | | E03 | | 表記: | 6-FLUORO-D-TRYPTOPHAN | | 組成式: | C11 H11 F N2 O2 | | SMILES: | N[CH](Cc1c[nH]c2cc(F)ccc12)C(O)=O | | InChi: | InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m1/s1 | | 別名: | (2R)-2-azanyl-3-(6-fluoranyl-1H-indol-3-yl)propanoic acid | | 定義日: | 2019-09-27 | | 最終更新日: | 2023-11-03 | | 公開日: | 2019-10-16 | | 識別子（ID）: | (2~{R})-2-azanyl-3-(6-fluoranyl-1~{H}-indol-3-yl)propanoic acid |
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 | | E2G | | 表記: | (2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide | | 組成式: | C15 H20 N6 O3 | | SMILES: | C(NC(C(N)O)=O)c1nnc(C)n1c2c(cccc2)CNC(C)=O | | InChi: | InChI=1S/C15H20N6O3/c1-9-19-20-13(8-18-15(24)14(16)23)21(9)12-6-4-3-5-11(12)7-17-10(2)22/h3-6,14,23H,7-8,16H2,1-2H3,(H,17,22)(H,18,24)/t14-/m1/s1 | | 定義日: | 2017-11-27 | | 最終更新日: | 2023-11-03 | | 公開日: | 2017-12-27 | | 識別子（ID）: | (2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide |
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 | | 4AF | | 表記: | 4-ACETYL-L-PHENYLALANINE | | 組成式: | C11 H13 N O3 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)C(=O)C | | InChi: | InChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1 | | 別名: | P-ACETYLPHENYLALANINE | | 定義日: | 2005-05-04 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 4-acetyl-L-phenylalanine |
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 | | 4AK | | 表記: | N~6~-sulfo-L-lysine | | 組成式: | C6 H14 N2 O5 S | | SMILES: | O=S(=O)(O)NCCCCC(C(=O)O)N | | InChi: | InChI=1S/C6H14N2O5S/c7-5(6(9)10)3-1-2-4-8-14(11,12)13/h5,8H,1-4,7H2,(H,9,10)(H,11,12,13)/t5-/m0/s1 | | 定義日: | 2015-02-20 | | 最終更新日: | 2023-11-03 | | 公開日: | 2015-07-15 | | 識別子（ID）: | N~6~-sulfo-L-lysine |
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 | | 4AW | | 表記: | 4-AZATRYPTOPHAN | | 組成式: | C10 H11 N3 O2 | | SMILES: | O=C(O)C(N)Cc2c1ncccc1nc2 | | InChi: | InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)/t7-/m0/s1 | | 定義日: | 2012-07-16 | | 最終更新日: | 2023-11-03 | | 公開日: | 2013-05-29 | | 識別子（ID）: | 3-(1H-pyrrolo[3,2-b]pyridin-3-yl)-L-alanine |
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 | | 4BA | | 表記: | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-BENZOIC ACID | | 組成式: | C11 H13 N O4 | | SMILES: | O=C(O)c1ccc(cc1)CNCCC(=O)O | | InChi: | InChI=1S/C11H13NO4/c13-10(14)5-6-12-7-8-1-3-9(4-2-8)11(15)16/h1-4,12H,5-7H2,(H,13,14)(H,15,16) | | 定義日: | 2000-08-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 4-{[(2-carboxyethyl)amino]methyl}benzoic acid |
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 | | 4BF | | 表記: | 4-BROMO-L-PHENYLALANINE | | 組成式: | C9 H10 Br N O2 | | SMILES: | Brc1ccc(cc1)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | | 別名: | P-BROMO-L-PHENYLALANINE | | 定義日: | 2005-08-22 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 4-bromo-L-phenylalanine |
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 | | E5X | | 表記: | 4-(hydroxymethyl)benzoic acid | | 組成式: | C8 H8 O3 | | SMILES: | OCc1ccc(cc1)C(O)=O | | InChi: | InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11) | | 定義日: | 2019-10-24 | | 最終更新日: | 2023-11-03 | | 公開日: | 2020-07-15 | | 識別子（ID）: | 4-(hydroxymethyl)benzoic acid |
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 | | 60F | | 表記: | (2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid | | 組成式: | C12 H13 N O4 S | | SMILES: | N[CH](CSC(=O)C=Cc1ccc(O)cc1)C(O)=O | | InChi: | InChI=1S/C12H13NO4S/c13-10(12(16)17)7-18-11(15)6-3-8-1-4-9(14)5-2-8/h1-6,10,14H,7,13H2,(H,16,17)/b6-3+/t10-/m0/s1 | | 定義日: | 2016-01-07 | | 最終更新日: | 2023-11-03 | | 公開日: | 2016-05-18 | | 識別子（ID）: | (2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid |
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 | | 60H | | 表記: | (2~{S})-2-(diphenylmethyl)pyrrolidine | | 組成式: | C17 H19 N | | SMILES: | C1CN[CH](C1)C(c2ccccc2)c3ccccc3 | | InChi: | InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m0/s1 | | 定義日: | 2016-01-08 | | 最終更新日: | 2023-11-03 | | 公開日: | 2016-01-27 | | 識別子（ID）: | (2~{S})-2-(diphenylmethyl)pyrrolidine |
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 | | E6F | | 表記: | (1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid | | 組成式: | C7 H13 N O2 | | SMILES: | N[CH]1CCCC[CH]1C(O)=O | | InChi: | InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1 | | 定義日: | 2019-10-29 | | 最終更新日: | 2023-11-03 | | 公開日: | 2020-09-02 | | 識別子（ID）: | (1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid |
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