 | | B3A | | 表記: | (3S)-3-AMINOBUTANOIC ACID | | 組成式: | C4 H9 N O2 | | SMILES: | O=C(O)CC(N)C | | InChi: | InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 | | 定義日: | 2007-02-28 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (3S)-3-aminobutanoic acid |
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 | | QLG | | 表記: | [(4Z)-2-[(1Z)-4-AMINO-4-OXOBUTANIMIDOYL]-4-(2-METHYLPROPYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | | 組成式: | C13 H18 N4 O4 | | SMILES: | O=C(N)CCC(=[N@H])C1=N/C(C(=O)N1CC(=O)O)=C/C(C)C | | InChi: | InChI=1S/C13H18N4O4/c1-7(2)5-9-13(21)17(6-11(19)20)12(16-9)8(14)3-4-10(15)18/h5,7,14H,3-4,6H2,1-2H3,(H2,15,18)(H,19,20)/b9-5+,14-8- | | 別名: | CHROMOPHORE (GLN-LEU-GLY) | | 定義日: | 2006-09-14 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | [(4E)-2-[(1Z)-4-amino-4-oxobutanimidoyl]-4-(2-methylpropylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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 | | B3D | | 表記: | 3-AMINOPENTANEDIOIC ACID | | 組成式: | C5 H9 N O4 | | SMILES: | O=C(O)CC(N)CC(=O)O | | InChi: | InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10) | | 別名: | BETA-HOMOASPARTATE | | 定義日: | 2007-02-28 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 3-aminopentanedioic acid |
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 | | B3E | | 表記: | (3S)-3-AMINOHEXANEDIOIC ACID | | 組成式: | C6 H11 N O4 | | SMILES: | O=C(O)CCC(N)CC(=O)O | | InChi: | InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 | | 定義日: | 2007-02-28 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (3S)-3-aminohexanedioic acid |
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 | | B3F | | 表記: | ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide | | 組成式: | C20 H26 N2 O2 | | SMILES: | CCCCCOc1cccc(Nc2ccccc2NC(=O)CC)c1 | | InChi: | InChI=1S/C20H26N2O2/c1-3-5-8-14-24-17-11-9-10-16(15-17)21-18-12-6-7-13-19(18)22-20(23)4-2/h6-7,9-13,15,21H,3-5,8,14H2,1-2H3,(H,22,23) | | 定義日: | 2023-07-17 | | 最終更新日: | 2024-09-27 | | 公開日: | 2023-12-13 | | 識別子（ID）: | ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide |
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 | | B3G | | 表記: | (1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | 組成式: | C22 H32 Cl N3 O8 S | | SMILES: | C1(=O)NCCC1CC(NC(C(NC(=O)OCCc2cccc(c2)Cl)CC(C)C)=O)C(O)S(=O)(O)=O | | InChi: | InChI=1S/C22H32ClN3O8S/c1-13(2)10-17(26-22(30)34-9-7-14-4-3-5-16(23)11-14)20(28)25-18(21(29)35(31,32)33)12-15-6-8-24-19(15)27/h3-5,11,13,15,17-18,21,29H,6-10,12H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,17-,18-,21+/m0/s1 | | 定義日: | 2017-07-31 | | 最終更新日: | 2024-09-27 | | 公開日: | 2018-04-04 | | 識別子（ID）: | (1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | B3J | | 表記: | (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | 組成式: | C31 H48 N4 O10 S | | SMILES: | C(CC1CCNC1=O)(C(O)S(=O)(O)=O)NC(C(CC(C)C)NC(=O)OC3(Cc2ccccc2)CCN(CC3)C(OC(C)(C)C)=O)=O | | InChi: | InChI=1S/C31H48N4O10S/c1-20(2)17-23(26(37)33-24(27(38)46(41,42)43)18-22-11-14-32-25(22)36)34-28(39)44-31(19-21-9-7-6-8-10-21)12-15-35(16-13-31)29(40)45-30(3,4)5/h6-10,20,22-24,27,38H,11-19H2,1-5H3,(H,32,36)(H,33,37)(H,34,39)(H,41,42,43)/t22-,23-,24-,27-/m0/s1 | | 定義日: | 2017-07-31 | | 最終更新日: | 2024-09-27 | | 公開日: | 2018-04-04 | | 識別子（ID）: | (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | B3K | | 表記: | (3S)-3,7-DIAMINOHEPTANOIC ACID | | 組成式: | C7 H16 N2 O2 | | SMILES: | O=C(O)CC(N)CCCCN | | InChi: | InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1 | | 定義日: | 2007-02-28 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (3S)-3,7-diaminoheptanoic acid |
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 | | B3L | | 表記: | (3S)-3-amino-5-methylhexanoic acid | | 組成式: | C7 H15 N O2 | | SMILES: | O=C(O)CC(N)CC(C)C | | InChi: | InChI=1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1 | | 別名: | (S)-beta-3-homoleucine | | 定義日: | 2008-02-05 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (3S)-3-amino-5-methylhexanoic acid |
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 | | B3M | | 表記: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid | | 組成式: | C6 H13 N O2 S | | SMILES: | O=C(O)CC(N)CCSC | | InChi: | InChI=1S/C6H13NO2S/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 | | 定義日: | 2008-11-19 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid |
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 | | B3Q | | 表記: | (3S)-3,6-diamino-6-oxohexanoic acid | | 組成式: | C6 H12 N2 O3 | | SMILES: | O=C(N)CCC(N)CC(=O)O | | InChi: | InChI=1S/C6H12N2O3/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1 | | 別名: | (S)-beta-3-homoglutamine | | 定義日: | 2008-02-05 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (3S)-3,6-diamino-6-oxohexanoic acid |
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 | | B3S | | 表記: | (3R)-3-AMINO-4-HYDROXYBUTANOIC ACID | | 組成式: | C4 H9 N O3 | | SMILES: | O=C(O)CC(N)CO | | InChi: | InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1 | | 定義日: | 2007-02-28 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (3R)-3-amino-4-hydroxybutanoic acid |
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 | | B3T | | 表記: | 3-amino-2,3,5-trideoxy-D-threo-pentonic acid | | 組成式: | C5 H11 N O3 | | SMILES: | O=C(O)CC(N)C(O)C | | InChi: | InChI=1S/C5H11NO3/c1-3(7)4(6)2-5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4-/m1/s1 | | 定義日: | 2008-11-10 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 3-amino-2,3,5-trideoxy-D-threo-pentonic acid |
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 | | B3U | | 表記: | 2-amino-L-histidine | | 組成式: | C6 H10 N4 O2 | | SMILES: | O=C(O)C(N)Cc1cnc(N)n1 | | InChi: | InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1 | | 定義日: | 2007-11-07 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 2-amino-L-histidine |
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 | | B3X | | 表記: | (3S)-3,5-DIAMINO-5-OXOPENTANOIC ACID | | 組成式: | C5 H10 N2 O3 | | SMILES: | O=C(N)CC(N)CC(=O)O | | InChi: | InChI=1S/C5H10N2O3/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 | | 定義日: | 2007-02-28 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (3S)-3,5-diamino-5-oxopentanoic acid |
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 | | B3Y | | 表記: | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | | 組成式: | C10 H13 N O3 | | SMILES: | O=C(O)CC(N)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1 | | 定義日: | 2007-02-28 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid |
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 | | QM8 | | 表記: | 6-Sulfanyl-L-norleucine | | 組成式: | C6 H13 N O2 S | | SMILES: | N[CH](CCCCS)C(O)=O | | InChi: | InChI=1S/C6H13NO2S/c7-5(6(8)9)3-1-2-4-10/h5,10H,1-4,7H2,(H,8,9)/t5-/m0/s1 | | 別名: | (2S)-2-azanyl-6-sulfanyl-hexanoic acid | | 定義日: | 2020-06-30 | | 最終更新日: | 2024-09-27 | | 公開日: | 2022-01-26 | | 識別子（ID）: | (2~{S})-2-azanyl-6-sulfanyl-hexanoic acid |
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 | | QMB | | 表記: | 5-Mercapto-norvaline | | 組成式: | C5 H11 N O2 S | | SMILES: | N[CH](CCCS)C(O)=O | | InChi: | InChI=1S/C5H11NO2S/c6-4(5(7)8)2-1-3-9/h4,9H,1-3,6H2,(H,7,8)/t4-/m0/s1 | | 別名: | (2S)-2-azanyl-5-sulfanyl-pentanoic acid | | 定義日: | 2020-06-30 | | 最終更新日: | 2024-09-27 | | 公開日: | 2022-01-26 | | 識別子（ID）: | (2~{S})-2-azanyl-5-sulfanyl-pentanoic acid |
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 | | QMK | | 表記: | ~{N}-[2-[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide | | 組成式: | C11 H19 N4 O8 P | | SMILES: | CC(=O)NCCc1cn(nn1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | | InChi: | InChI=1S/C11H19N4O8P/c1-6(16)12-3-2-7-4-15(14-13-7)11-10(18)9(17)8(23-11)5-22-24(19,20)21/h4,8-11,17-18H,2-3,5H2,1H3,(H,12,16)(H2,19,20,21)/t8-,9-,10-,11-/m1/s1 | | 定義日: | 2020-07-03 | | 最終更新日: | 2024-09-27 | | 公開日: | 2021-04-14 | | 識別子（ID）: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-(2-acetamidoethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | | QML | | 表記: | (3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide | | 組成式: | C21 H17 Cl N2 O3 | | SMILES: | CCC(=O)N(c1cncc2ccccc21)C(=O)C1COc2ccc(Cl)cc21 | | InChi: | InChI=1S/C21H17ClN2O3/c1-2-20(25)24(18-11-23-10-13-5-3-4-6-15(13)18)21(26)17-12-27-19-8-7-14(22)9-16(17)19/h3-11,17H,2,12H2,1H3/t17-/m1/s1 | | 定義日: | 2023-08-18 | | 最終更新日: | 2024-09-27 | | 公開日: | 2023-11-08 | | 識別子（ID）: | (3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide |
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 | | QMM | | 表記: | N,N-dimethyl-L-glutamine | | 組成式: | C7 H14 N2 O3 | | SMILES: | O=C(N(C)C)CCC(N)C(=O)O | | InChi: | InChI=1S/C7H14N2O3/c1-9(2)6(10)4-3-5(8)7(11)12/h5H,3-4,8H2,1-2H3,(H,11,12)/t5-/m0/s1 | | 定義日: | 2010-07-06 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | N,N-dimethyl-L-glutamine |
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 | | B4H | | 表記: | N-methylidene-3-nitrobenzamide | | 組成式: | C8 H6 N2 O3 | | SMILES: | O=[N+](c1cc(ccc1)C(=O)N=C)[O-] | | InChi: | InChI=1S/C8H6N2O3/c1-9-8(11)6-3-2-4-7(5-6)10(12)13/h2-5H,1H2 | | 定義日: | 2015-09-30 | | 最終更新日: | 2024-09-27 | | 公開日: | 2016-09-21 | | 識別子（ID）: | N-methylidene-3-nitrobenzamide |
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 | | QN4 | | 表記: | 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide | | 組成式: | C13 H13 Cl N4 O4 S | | SMILES: | C=2C=NN(CC(Nc1ccc(c(c1)S(N)(=O)=O)C)=O)C(C=2Cl)=O | | InChi: | InChI=1S/C13H13ClN4O4S/c1-8-2-3-9(6-11(8)23(15,21)22)17-12(19)7-18-13(20)10(14)4-5-16-18/h2-6H,7H2,1H3,(H,17,19)(H2,15,21,22) | | 定義日: | 2019-11-22 | | 最終更新日: | 2024-09-27 | | 公開日: | 2020-11-25 | | 識別子（ID）: | 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide |
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 | | QN8 | | 表記: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one | | 組成式: | C8 H13 N O | | SMILES: | C[CH]1N2CCC(CC2)C1=O | | InChi: | InChI=1S/C8H13NO/c1-6-8(10)7-2-4-9(6)5-3-7/h6-7H,2-5H2,1H3/t6-/m1/s1 | | 定義日: | 2020-07-08 | | 最終更新日: | 2024-09-27 | | 公開日: | 2021-12-08 | | 識別子（ID）: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one |
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 | | QNC | | 表記: | quinoline-2-carboxylic acid | | 組成式: | C10 H7 N O2 | | SMILES: | O=C(O)c1nc2ccccc2cc1 | | InChi: | InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | quinoline-2-carboxylic acid |
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