 | | ALP | | 表記: | 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID | | 組成式: | C9 H15 N O5 S | | SMILES: | O=C(O)C(CO)C1SC(C(C(=O)O)N1)(C)C | | InChi: | InChI=1S/C9H15NO5S/c1-9(2)5(8(14)15)10-6(16-9)4(3-11)7(12)13/h4-6,10-11H,3H2,1-2H3,(H,12,13)(H,14,15)/t4-,5+,6-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (2R,4S)-2-[(1S)-1-carboxy-2-hydroxyethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | ALQ | | 表記: | 2-METHYL-PROPIONIC ACID | | 組成式: | C4 H8 O2 | | SMILES: | O=C(O)C(C)C | | InChi: | InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) | | 定義日: | 2000-08-25 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 2-methylpropanoic acid |
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 | | ALS | | 表記: | (3S)-3-(sulfooxy)-L-serine | | 組成式: | C3 H7 N O7 S | | SMILES: | C(C(C(OS(O)(=O)=O)O)N)(O)=O | | InChi: | InChI=1S/C3H7NO7S/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H,8,9,10)/t1-,3+/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (3S)-3-(sulfooxy)-L-serine |
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 | | ALT | | 表記: | THIOALANINE | | 組成式: | C3 H7 N O S | | SMILES: | S=C(O)C(N)C | | InChi: | InChI=1S/C3H7NOS/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (2S)-2-aminopropanethioic O-acid |
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 | | ALV | | 表記: | (2S)-2-aminopropane-1,1-diol | | 組成式: | C3 H9 N O2 | | SMILES: | OC(O)C(N)C | | InChi: | InChI=1S/C3H9NO2/c1-2(4)3(5)6/h2-3,5-6H,4H2,1H3/t2-/m0/s1 | | 定義日: | 2010-10-07 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (2S)-2-aminopropane-1,1-diol |
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 | | ALY | | 表記: | N(6)-ACETYLLYSINE | | 組成式: | C8 H16 N2 O3 | | SMILES: | O=C(NCCCCC(N)C(=O)O)C | | InChi: | InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 | | 定義日: | 2000-08-18 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | N~6~-acetyl-L-lysine |
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 | | AME | | 表記: | N-ACETYLMETHIONINE | | 組成式: | C7 H13 N O3 S | | SMILES: | O=C(NC(C(=O)O)CCSC)C | | InChi: | InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1 | | 定義日: | 2000-05-11 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | N-acetyl-L-methionine |
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 | | IN6 | | 表記: | N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE | | 組成式: | C31 H39 N5 O6 S | | SMILES: | O=C(OCc1ccccc1)NC(c2nc(cs2)C(=O)NNC(=O)C(NC(=O)OCc3ccccc3)CC(C)C)CC(C)C | | InChi: | InChI=1S/C31H39N5O6S/c1-20(2)15-24(33-30(39)41-17-22-11-7-5-8-12-22)27(37)35-36-28(38)26-19-43-29(32-26)25(16-21(3)4)34-31(40)42-18-23-13-9-6-10-14-23/h5-14,19-21,24-25H,15-18H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t24-,25-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | benzyl [(1S)-1-{[2-({2-[(1S)-1-{[(benzyloxy)carbonyl]amino}-3-methylbutyl]-1,3-thiazol-4-yl}carbonyl)hydrazino]carbonyl}-3-methylbutyl]carbamate (non-preferred name) |
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 | | INA | | 表記: | 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE | | 組成式: | C29 H40 N6 O7 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NNC(=O)NNC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C | | InChi: | InChI=1S/C29H40N6O7/c1-19(2)15-23(30-28(39)41-17-21-11-7-5-8-12-21)25(36)32-34-27(38)35-33-26(37)24(16-20(3)4)31-29(40)42-18-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,30,39)(H,31,40)(H,32,36)(H,33,37)(H2,34,35,38)/t23-,24-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | benzyl [(1S,9S)-1,9-bis(2-methylpropyl)-2,5,8,11-tetraoxo-13-phenyl-12-oxa-3,4,6,7,10-pentaazatridec-1-yl]carbamate (non-preferred name) |
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 | | INC | | 表記: | 2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER | | 組成式: | C9 H17 N O4 | | SMILES: | O=C(N(O)C(C(=O)OC)CC(C)C)C | | InChi: | InChI=1S/C9H17NO4/c1-6(2)5-8(9(12)14-4)10(13)7(3)11/h6,8,13H,5H2,1-4H3/t8-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | methyl N-acetyl-N-hydroxy-D-leucinate |
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 | | ING | | 表記: | D-[(AMINO)CARBONYL]PHENYLALANINE | | 組成式: | C10 H12 N2 O3 | | SMILES: | O=C(O)C(NC(=O)N)Cc1ccccc1 | | InChi: | InChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)/t8-/m0/s1 | | 定義日: | 2000-11-21 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | N-carbamoyl-L-phenylalanine |
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 | | INK | | 表記: | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE | | 組成式: | C11 H16 Cl O3 P | | SMILES: | ClP(=O)(OC(COc1ccccc1)CC)C | | InChi: | InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16-/m1/s1 | | 定義日: | 2001-01-03 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (1R)-1-(phenoxymethyl)propyl (R)-methylphosphonochloridoate |
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 | | INP | | 表記: | 4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N | | 組成式: | C31 H43 N5 O6 | | SMILES: | O=C(OCc1ccncc1)NC(C(=O)NC3C(=O)CN(CC(NC(=O)OCc2ccccc2)CC(C)C)C3)CC(C)C | | InChi: | InChI=1S/C31H43N5O6/c1-21(2)14-25(33-30(39)41-19-23-8-6-5-7-9-23)16-36-17-27(28(37)18-36)34-29(38)26(15-22(3)4)35-31(40)42-20-24-10-12-32-13-11-24/h5-13,21-22,25-27H,14-20H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)/t25-,26-,27+/m0/s1 | | 別名: | PYRROLIDINONE | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | N-{(3R)-1-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentyl]-4-oxopyrrolidin-3-yl}-N~2~-[(pyridin-4-ylmethoxy)carbonyl]-L-leucinamide |
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 | | INS | | 表記: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE | | 組成式: | C6 H12 O6 | | SMILES: | OC1C(O)C(O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- | | 別名: | MYO-INOSITOL | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol |
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 | | IO8 | | 表記: | 2-[2-(aminomethyl)-4-(1H-indol-3-ylmethyl)-5-oxidanylidene-4H-imidazol-1-yl]ethanoic acid | | 組成式: | C15 H14 N4 O3 | | SMILES: | NCC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O | | InChi: | InChI=1S/C15H14N4O3/c16-6-13-18-12(15(22)19(13)8-14(20)21)5-9-7-17-11-4-2-1-3-10(9)11/h1-5,7,17H,6,8,16H2,(H,20,21)/b12-5- | | 別名: | CHROMOPHORE (GLY-TRP-GLY) | | 定義日: | 2022-04-01 | | 最終更新日: | 2024-09-27 | | 公開日: | 2022-05-04 | | 識別子（ID）: | 2-[(4~{Z})-2-(aminomethyl)-4-(1~{H}-indol-3-ylmethylidene)-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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 | | IOD | | 表記: | IODIDE ION | | 組成式: | I | | SMILES: | [I-] | | InChi: | InChI=1S/HI/h1H/p-1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | iodide |
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 | | IOY | | 表記: | P-IODO-D-PHENYLALANINE | | 組成式: | C9 H10 I N O2 | | SMILES: | Ic1ccc(cc1)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1 | | 別名: | 4-IODOPHENYLALANINE | | 定義日: | 2004-09-14 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 4-iodo-D-phenylalanine |
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 | | IP8 | | 表記: | Isopentenyl phosphate | | 組成式: | C5 H11 O4 P | | SMILES: | O=P(OCCC(=C)C)(O)O | | InChi: | InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8) | | 別名: | 3-methylbut-3-en-1-yl dihydrogen phosphate | | 定義日: | 2009-10-21 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 3-methylbut-3-en-1-yl dihydrogen phosphate |
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 | | IPD | | 表記: | D-MYO-INOSITOL-1-PHOSPHATE | | 組成式: | C6 H11 O9 P | | SMILES: | O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate |
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 | | IPG | | 表記: | N-ISOPROPYL GLYCINE | | 組成式: | C5 H11 N O2 | | SMILES: | O=C(O)CNC(C)C | | InChi: | InChI=1S/C5H11NO2/c1-4(2)6-3-5(7)8/h4,6H,3H2,1-2H3,(H,7,8) | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | N-(1-methylethyl)glycine |
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 | | IPI | | 表記: | 3-methylbutylphosphonic acid | | 組成式: | C5 H13 O3 P | | SMILES: | CC(C)CC[P](O)(O)=O | | InChi: | InChI=1S/C5H13O3P/c1-5(2)3-4-9(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8) | | 別名: | isoamylphosphonic acid | | 定義日: | 2011-01-21 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | 3-methylbutylphosphonic acid |
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 | | IPP | | 表記: | (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID | | 組成式: | C9 H11 I N O3 P | | SMILES: | Ic1ccc(cc1)CC(=O)NCP(=O)O | | InChi: | InChI=1S/C9H11INO3P/c10-8-3-1-7(2-4-8)5-9(12)11-6-15(13)14/h1-4,15H,5-6H2,(H,11,12)(H,13,14) | | 定義日: | 1999-07-08 | | 最終更新日: | 2024-09-27 | | 識別子（ID）: | (R)-({[(4-iodophenyl)acetyl]amino}methyl)phosphinic acid |
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 | | IQ8 | | 表記: | N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide | | 組成式: | C14 H17 N3 O2 S | | SMILES: | CC(=O)NCCNC(=O)c1ccc(cc1)C2=NCCS2 | | InChi: | InChI=1S/C14H17N3O2S/c1-10(18)15-6-7-16-13(19)11-2-4-12(5-3-11)14-17-8-9-20-14/h2-5H,6-9H2,1H3,(H,15,18)(H,16,19) | | 定義日: | 2022-07-08 | | 最終更新日: | 2024-09-27 | | 公開日: | 2023-09-27 | | 識別子（ID）: | ~{N}-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide |
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 | | IRK | | 表記: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid | | 組成式: | C21 H37 N3 O8 S | | SMILES: | CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14-,15-,16-,17-,20+/m0/s1 | | 定義日: | 2022-01-27 | | 最終更新日: | 2024-09-27 | | 公開日: | 2022-03-02 | | 識別子（ID）: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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 | | IRQ | | 表記: | lambda-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III) | | 組成式: | C37 H25 F4 Ir N5 O2 | | SMILES: | Fc1cc(F)c(c([Ir+3]c2cc(F)cc(F)c2c3ccccn3)c1)c4ccccn4.O=C5CCC(=O)N5Cc6ccc(nc6)c7ccccn7 | | InChi: | InChI=1S/C15H13N3O2.2C11H6F2N.Ir/c19-14-6-7-15(20)18(14)10-11-4-5-13(17-9-11)12-3-1-2-8-16-12 | | 定義日: | 2022-08-27 | | 最終更新日: | 2024-09-27 | | 公開日: | 2023-03-15 |
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