 | | AA4 | | 表記: | 2-AMINO-5-HYDROXYPENTANOIC ACID | | 組成式: | C5 H11 N O3 | | SMILES: | O=C(O)C(N)CCCO | | InChi: | InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1 | | 定義日: | 1999-08-09 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 5-hydroxy-L-norvaline |
|
 | | AA8 | | 表記: | Anguinomycin A, bound form | | 組成式: | C31 H48 O7 | | SMILES: | O=C(O)CCCC(O)/C=C/C(=CC(C)C/C=C/C(=C/C(C(=O)C(C)C(O)C(C)CC(=CC(=O)O)C)C)C)C | | InChi: | InChI=1S/C31H48O7/c1-20(16-22(3)14-15-27(32)12-9-13-28(33)34)10-8-11-21(2)17-24(5)30(37)26(7)31(38)25(6)18-23(4)19-29(35)36/h8,11,14-17,19-20,24-27,31-32,38H,9-10,12-13,18H2,1-7H3,(H,33,34)(H,35,36)/b11-8+,15-14+,21-17+,22-16-,23-19+/t20-,24-,25+,26-,27-,31-/m1/s1 | | 定義日: | 2012-10-11 | | 最終更新日: | 2024-09-27 | | 公開日: | 2013-01-04 | | 識別子（ID）: | (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R)-6,20-dihydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxotetracosa-2,10,12,16,18-pentaenedioic acid |
|
 | | AAC | | 表記: | ACETYLAMINO-ACETIC ACID | | 組成式: | C4 H7 N O3 | | SMILES: | O=C(NCC(=O)O)C | | InChi: | InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) | | 定義日: | 1999-07-16 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | N-acetylglycine |
|
 | | AAE | | 表記: | ACETOACETIC ACID | | 組成式: | C4 H6 O3 | | SMILES: | O=C(C)CC(=O)O | | InChi: | InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7) | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 3-oxobutanoic acid |
|
 | | AAF | | 表記: | METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | | 組成式: | C20 H29 N5 O4 | | SMILES: | O=C(NCC2NC(C(=O)N1C(CN)CCC1)CC2)Nc3ccc(C(=O)OC)cc3 | | InChi: | InChI=1S/C20H29N5O4/c1-29-19(27)13-4-6-14(7-5-13)24-20(28)22-12-15-8-9-17(23-15)18(26)25-10-2-3-16(25)11-21/h4-7,15-17,23H,2-3,8-12,21H2,1H3,(H2,22,24,28)/t15-,16+,17+/m1/s1 | | 定義日: | 2006-03-13 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | methyl 4-[({[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}carbamoyl)amino]benzoate |
|
 | | AAK | | 表記: | ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | | 組成式: | C16 H22 N2 O3 | | SMILES: | CCC(=O)N1CCN(C(=O)OC(C)(C)C)c2ccccc12 | | InChi: | InChI=1S/C16H22N2O3/c1-5-14(19)17-10-11-18(15(20)21-16(2,3)4)13-9-7-6-8-12(13)17/h6-9H,5,10-11H2,1-4H3 | | 定義日: | 2017-08-18 | | 最終更新日: | 2024-09-27 | | 公開日: | 2018-03-14 | | 識別子（ID）: | ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate |
|
 | | AAR | | 表記: | ARGININEAMIDE | | 組成式: | C6 H16 N5 O | | SMILES: | O=C(N)C(N)CCCNC(=[NH2+])N | | InChi: | InChI=1S/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)/p+1/t4-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | amino{[(4S)-4,5-diamino-5-oxopentyl]amino}methaniminium |
|
 | | ABA | | 表記: | ALPHA-AMINOBUTYRIC ACID | | 組成式: | C4 H9 N O2 | | SMILES: | O=C(O)C(N)CC | | InChi: | InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (2S)-2-aminobutanoic acid |
|
 | | ABB | | 表記: | (2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE | | 組成式: | C20 H26 N6 O4 S | | SMILES: | O=C(N1CC(O)CC1C(=O)NC(C(=O)c2nc3ccccc3s2)CCCNC(=[N@H])N)C | | InChi: | InChI=1S/C20H26N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,12,14-15,28H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t12-,14+,15+/m1/s1 | | 定義日: | 2002-12-17 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (4R)-1-acetyl-N-[(1S)-1-(1,3-benzothiazol-2-ylcarbonyl)-4-carbamimidamidobutyl]-4-hydroxy-L-prolinamide |
|
 | | O95 | | 表記: | {(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone | | 組成式: | C17 H17 F3 N4 O3 S | | SMILES: | FC(F)(F)c1cc2nc(sc2c(c1C)NO)C4=NC(C(=O)N3CCCC3)CO4 | | InChi: | InChI=1S/C17H17F3N4O3S/c1-8-9(17(18,19)20)6-10-13(12(8)23-26)28-15(22-10)14-21-11(7-27-14)16(25)24-4-2-3-5-24/h6,11,23,26H,2-5,7H2,1H3/t11-/m0/s1 | | 定義日: | 2014-04-04 | | 最終更新日: | 2024-09-27 | | 公開日: | 2015-10-28 | | 識別子（ID）: | {(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone |
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 | | ABN | | 表記: | BENZYLAMINE | | 組成式: | C7 H9 N | | SMILES: | NCc1ccccc1 | | InChi: | InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 1-phenylmethanamine |
|
 | | O9E | | 表記: | ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide | | 組成式: | C30 H38 N8 O2 S2 | | SMILES: | CCCn1cc(CN(C)C(=O)c2sc(C)c(c2)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(CC)nn5)nn1 | | InChi: | InChI=1S/C30H38N8O2S2/c1-7-12-38-18-22(32-34-38)16-36(6)30(40)28-14-26(20(4)42-28)24-11-9-10-23(24)25-13-27(41-19(25)3)29(39)35(5)15-21-17-37(8-2)33-31-21/h13-14,17-18H,7-12,15-16H2,1-6H3 | | 定義日: | 2020-02-24 | | 最終更新日: | 2024-09-27 | | 公開日: | 2020-05-20 | | 識別子（ID）: | ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide |
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 | | ABU | | 表記: | GAMMA-AMINO-BUTANOIC ACID | | 組成式: | C4 H9 N O2 | | SMILES: | O=C(O)CCCN | | InChi: | InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) | | 別名: | GAMMA(AMINO)-BUTYRIC ACID | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 4-aminobutanoic acid |
|
 | | ABZ | | 表記: | 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE | | 組成式: | C19 H14 Cl N7 | | SMILES: | N#Cc1ccc(cc1)Nc2nc(nc(n2)Cc3c(Cl)ccc4c3ccn4)N | | InChi: | InChI=1S/C19H14ClN7/c20-15-5-6-16-13(7-8-23-16)14(15)9-17-25-18(22)27-19(26-17)24-12-3-1-11(10-21)2-4-12/h1-8,23H,9H2,(H3,22,24,25,26,27) | | 定義日: | 2001-12-07 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 4-({4-amino-6-[(5-chloro-1H-indol-4-yl)methyl]-1,3,5-triazin-2-yl}amino)benzonitrile |
|
 | | AC0 | | 表記: | 1-PHENYLETHANONE | | 組成式: | C8 H8 O | | SMILES: | O=C(c1ccccc1)C | | InChi: | InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 | | 別名: | ACETOPHENONE | | 定義日: | 2005-05-10 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 1-phenylethanone |
|
 | | AC5 | | 表記: | 1-AMINOCYCLOPENTANECARBOXYLIC ACID | | 組成式: | C6 H11 N O2 | | SMILES: | O=C(O)C1(N)CCCC1 | | InChi: | InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) | | 別名: | CYCLO-LEUCINE | | 定義日: | 2004-11-22 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 1-aminocyclopentanecarboxylic acid |
|
 | | ACA | | 表記: | 6-AMINOHEXANOIC ACID | | 組成式: | C6 H13 N O2 | | SMILES: | O=C(O)CCCCCN | | InChi: | InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9) | | 別名: | AMINOCAPROIC ACID | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 6-aminohexanoic acid |
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 | | ACB | | 表記: | 3-METHYL-BETA-D-ASPARTIC ACID | | 組成式: | C5 H9 N O4 | | SMILES: | O=C(O)C(N)C(C(=O)O)C | | InChi: | InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1 | | 別名: | (3S)-3-methyl-D-aspartic acid | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (3S)-3-methyl-D-aspartic acid |
|
 | | ACD | | 表記: | ARACHIDONIC ACID | | 組成式: | C20 H32 O2 | | SMILES: | O=C(O)CCCC=C/CC=C/CC=C/CC=C/CCCCC | | InChi: | InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15- | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid |
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 | | ACE | | 表記: | ACETYL GROUP | | 組成式: | C2 H4 O | | SMILES: | O=CC | | InChi: | InChI=1S/C2H4O/c1-2-3/h2H,1H3 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | acetaldehyde |
|
 | | ACF | | 表記: | 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID | | 組成式: | C18 H24 Cl N3 O4 | | SMILES: | O=C(O)c3cc(OCC2NC(C(=O)N1C(CN)CCC1)CC2)c(Cl)cc3 | | InChi: | InChI=1S/C18H24ClN3O4/c19-14-5-3-11(18(24)25)8-16(14)26-10-12-4-6-15(21-12)17(23)22-7-1-2-13(22)9-20/h3,5,8,12-13,15,21H,1-2,4,6-7,9-10,20H2,(H,24,25)/t12-,13+,15+/m1/s1 | | 定義日: | 2006-03-09 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 3-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-4-chlorobenzoic acid |
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 | | ACH | | 表記: | ACETYLCHOLINE | | 組成式: | C7 H16 N O2 | | SMILES: | O=C(OCC[N+](C)(C)C)C | | InChi: | InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 2-(acetyloxy)-N,N,N-trimethylethanaminium |
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 | | ACM | | 表記: | ACETAMIDE | | 組成式: | C2 H5 N O | | SMILES: | O=C(N)C | | InChi: | InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4) | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | acetamide |
|
 | | ACN | | 表記: | ACETONE | | 組成式: | C3 H6 O | | SMILES: | O=C(C)C | | InChi: | InChI=1S/C3H6O/c1-3(2)4/h1-2H3 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | propan-2-one |
|
 | | ACO | | 表記: | ACETYL COENZYME *A | | 組成式: | C23 H38 N7 O17 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C | | InChi: | InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | S-{(9R,13S,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} ethanethioate (non-preferred name) |
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