| 9VD | 表記: | (2S,3S)-2-amino-3-hydroxybutanal | 組成式: | C4 H9 N O2 | SMILES: | C(=O)C(C(O)C)N | InChi: | InChI=1S/C4H9NO2/c1-3(7)4(5)2-6/h2-4,7H,5H2,1H3/t3-,4+/m0/s1 | 定義日: | 2017-06-13 | 最終更新日: | 2024-09-27 | 公開日: | 2017-08-30 | 識別子(ID): | (2S,3S)-2-amino-3-hydroxybutanal |
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| P07 | 表記: | 1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE | 組成式: | C20 H18 N6 | SMILES: | n1nn(c4c1c5c(c2c(nnn2CC)c3ccccc34)cccc5)CC | InChi: | InChI=1S/C20H18N6/c1-3-25-19-15-11-7-5-9-13(15)18-20(26(4-2)24-22-18)16-12-8-6-10-14(16)17(19)21-23-25/h5-12H,3-4H2,1-2H3/b17-14+,18-13+,19-15+,20-16+ | 定義日: | 2015-01-22 | 最終更新日: | 2024-09-27 | 公開日: | 2016-01-27 | 識別子(ID): | 1,8-diethyl-1,8-dihydrodibenzo[3,4:7,8][1,2,3]triazolo[4',5':5,6]cycloocta[1,2-d][1,2,3]triazole (non-preferred name) |
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| 9VP | 表記: | 5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid | 組成式: | C11 H18 F N O7 | SMILES: | OC(=O)C1C(F)CC(C(O1)C(O)C(CO)O)NC(=O)C | InChi: | InChI=1S/C11H18FNO7/c1-4(15)13-6-2-5(12)9(11(18)19)20-10(6)8(17)7(16)3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8-,9+,10-/m1/s1 | 別名: | 5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid | 定義日: | 2017-06-15 | 最終更新日: | 2024-09-27 | 公開日: | 2018-02-21 | 識別子(ID): | 5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid |
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| P18 | 表記: | 3-hydroxy-1-phenylpropan-1-one | 組成式: | C9 H10 O2 | SMILES: | O=C(c1ccccc1)CCO | InChi: | InChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2 | 定義日: | 2012-08-02 | 最終更新日: | 2024-09-27 | 公開日: | 2013-01-11 | 識別子(ID): | 3-hydroxy-1-phenylpropan-1-one |
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| 9WV | 表記: | beta-alanyl-3-amino-L-alanine | 組成式: | C6 H13 N3 O3 | SMILES: | NCC(NC(=O)CCN)C(O)=O | InChi: | InChI=1S/C6H13N3O3/c7-2-1-5(10)9-4(3-8)6(11)12/h4H,1-3,7-8H2,(H,9,10)(H,11,12)/t4-/m0/s1 | 定義日: | 2017-06-20 | 最終更新日: | 2024-09-27 | 公開日: | 2017-10-04 | 識別子(ID): | beta-alanyl-3-amino-L-alanine |
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| P1K | 表記: | phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid | 組成式: | C6 H11 B F3 N4 O7 P S | SMILES: | OB(Cn1cc(CN[S](=O)(=O)CC(F)(F)F)nn1)O[P](O)(O)=O | InChi: | InChI=1S/C6H11BF3N4O7PS/c8-6(9,10)3-23(19,20)11-1-5-2-14(13-12-5)4-7(15)21-22(16,17)18/h2,11,15H,1,3-4H2,(H2,16,17,18) | 定義日: | 2019-08-16 | 最終更新日: | 2024-09-27 | 公開日: | 2020-06-24 | 識別子(ID): | phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid |
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| P1L | 表記: | S-PALMITOYL-L-CYSTEINE | 組成式: | C19 H37 N O3 S | SMILES: | O=C(O)C(N)CSC(=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C19H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h17H,2-16,20H2,1H3,(H,22,23)/t17-/m0/s1 | 定義日: | 2005-09-03 | 最終更新日: | 2024-09-27 | 識別子(ID): | S-hexadecanoyl-L-cysteine |
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| P1T | 表記: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID | 組成式: | C11 H15 N2 O7 P | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1CNC(=C)/C(=O)O)C | InChi: | InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,13-14H,2,4-5H2,1H3,(H,15,16)(H2,17,18,19) | 定義日: | 2006-09-05 | 最終更新日: | 2024-09-27 | 識別子(ID): | 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]prop-2-enoic acid |
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| P1V | 表記: | (2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid | 組成式: | C9 H16 N4 O2 | SMILES: | Cc1[nH]nc(CCCC[CH](N)C(O)=O)n1 | InChi: | InChI=1S/C9H16N4O2/c1-6-11-8(13-12-6)5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1 | 定義日: | 2022-09-29 | 最終更新日: | 2024-09-27 | 公開日: | 2023-01-11 | 識別子(ID): | (2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid |
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| P23 | 表記: | PROPYL TRIHYDROGEN DIPHOSPHATE | 組成式: | C3 H10 O7 P2 | SMILES: | O=P(O)(OP(=O)(OCCC)O)O | InChi: | InChI=1S/C3H10O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h2-3H2,1H3,(H,7,8)(H2,4,5,6) | 定義日: | 2004-07-01 | 最終更新日: | 2024-09-27 | 識別子(ID): | propyl trihydrogen diphosphate |
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| 9XQ | 表記: | [azanyl-[(3-carboxyphenyl)amino]methylidene]azanium | 組成式: | C8 H10 N3 O2 | SMILES: | NC(=[NH2+])Nc1cccc(c1)C(O)=O | InChi: | InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)/p+1 | 定義日: | 2017-07-27 | 最終更新日: | 2024-09-27 | 公開日: | 2018-06-06 | 識別子(ID): | [azanyl-[(3-carboxyphenyl)amino]methylidene]azanium |
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| P2D | 表記: | pentane-2,4-dione | 組成式: | C5 H8 O2 | SMILES: | O=C(C)CC(=O)C | InChi: | InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 | 定義日: | 2013-11-27 | 最終更新日: | 2024-09-27 | 公開日: | 2014-09-24 | 識別子(ID): | pentane-2,4-dione |
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| P2J | 表記: | 9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine | 組成式: | C19 H31 N7 O5 | SMILES: | c2nc(N)c3ncn(C1OC(C(O)C1O)CN(CCC(C(O)=O)N)CCCCC)c3n2 | InChi: | InChI=1S/C19H31N7O5/c1-2-3-4-6-25(7-5-11(20)19(29)30)8-12-14(27)15(28)18(31-12)26-10-24-13-16(21)22-9-23-17(13)26/h9-12,14-15,18,27-28H,2-8,20H2,1H3,(H,29,30)(H2,21,22,23)/t11-,12-,14-,15+,18-/m0/s1 | 定義日: | 2019-07-25 | 最終更新日: | 2024-09-27 | 公開日: | 2020-08-19 | 識別子(ID): | 9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine |
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| 9XX | 表記: | (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate | 組成式: | C38 H74 O4 | SMILES: | C(CCC(OC(COC(CCCCCCCCCCCCCCC)=O)C)=O)CCCCCC(CCCCCCCC)C | InChi: | InChI=1S/C38H74O4/c1-5-7-9-11-13-14-15-16-17-18-19-24-28-32-37(39)41-34-36(4)42-38(40)33-29-25-21-20-23-27-31-35(3)30-26-22-12-10-8-6-2/h35-36H,5-34H2,1-4H3/t35-,36-/m0/s1 | 別名: | (S)-1-(palmitoyloxy)propan-2-yl (S)-10-methyloctadecanoate | 定義日: | 2018-08-29 | 最終更新日: | 2024-09-27 | 公開日: | 2018-11-14 | 識別子(ID): | (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate |
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| P2Q | 表記: | 2-hydroxy-5-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1yl]amino}-L-tyrosine | 組成式: | C20 H22 N2 O6 | SMILES: | N[CH](Cc1cc(N[CH](C=O)C=CCOc2ccccc2)c(O)cc1O)C(O)=O | InChi: | InChI=1S/C20H22N2O6/c21-16(20(26)27)9-13-10-17(19(25)11-18(13)24)22-14(12-23)5-4-8-28-15-6-2-1-3-7-15/h1-7,10-12,14,16,22,24-25H,8-9,21H2,(H,26,27)/b5-4+/t14-,16-/m0/s1 | 別名: | 3-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1-yl]amino}-6-hydroxy-L-tyrosine | 定義日: | 2009-11-10 | 最終更新日: | 2024-09-27 | 識別子(ID): | (2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E,2S)-1-oxo-5-phenoxy-pent-3-en-2-yl]amino]phenyl]propanoic acid |
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| 9Y6 | 表記: | (2E)-3-phenylprop-2-enal | 組成式: | C9 H8 O | SMILES: | c1cccc(c1)C=[C@H]C=O | InChi: | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ | 別名: | Trans-Cinnamaldehyde | 定義日: | 2018-08-29 | 最終更新日: | 2024-09-27 | 公開日: | 2019-08-14 | 識別子(ID): | (2E)-3-phenylprop-2-enal |
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| P2Y | 表記: | (2S)-PYRROLIDIN-2-YLMETHYLAMINE | 組成式: | C5 H12 N2 | SMILES: | NCC1NCCC1 | InChi: | InChI=1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2/t5-/m0/s1 | 定義日: | 2003-03-20 | 最終更新日: | 2024-09-27 | 識別子(ID): | 1-[(2S)-pyrrolidin-2-yl]methanamine |
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| 9YZ | 表記: | methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | 組成式: | C13 H16 N2 O3 | SMILES: | CCC(=O)N1CCN(C(=O)OC)c2ccccc12 | InChi: | InChI=1S/C13H16N2O3/c1-3-12(16)14-8-9-15(13(17)18-2)11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3 | 定義日: | 2017-08-05 | 最終更新日: | 2024-09-27 | 公開日: | 2018-03-14 | 識別子(ID): | methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate |
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| P3Q | 表記: | 2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine | 組成式: | C21 H24 N2 O5 | SMILES: | N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O | InChi: | InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1 | 定義日: | 2009-11-19 | 最終更新日: | 2024-09-27 | 識別子(ID): | (2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E)-1-oxo-6-phenyl-hex-2-en-3-yl]amino]phenyl]propanoic acid |
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| 9Z2 | 表記: | ~{N}-(4-pyrimidin-2-ylphenyl)propanamide | 組成式: | C13 H13 N3 O | SMILES: | CCC(=O)Nc1ccc(cc1)c2ncccn2 | InChi: | InChI=1S/C13H13N3O/c1-2-12(17)16-11-6-4-10(5-7-11)13-14-8-3-9-15-13/h3-9H,2H2,1H3,(H,16,17) | 定義日: | 2017-08-05 | 最終更新日: | 2024-09-27 | 公開日: | 2018-08-29 | 識別子(ID): | ~{N}-(4-pyrimidin-2-ylphenyl)propanamide |
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| 9Z4 | 表記: | 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide | 組成式: | C18 H19 N5 O2 | SMILES: | c21n(ccc1)ncc(c2NCc3cccc(c3)NC(=O)CC)C(N)=O | InChi: | InChI=1S/C18H19N5O2/c1-2-16(24)22-13-6-3-5-12(9-13)10-20-17-14(18(19)25)11-21-23-8-4-7-15(17)23/h3-9,11,20H,2,10H2,1H3,(H2,19,25)(H,22,24) | 別名: | 4-({[3-(acryloylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide bound form | 定義日: | 2017-07-12 | 最終更新日: | 2024-09-27 | 公開日: | 2017-10-04 | 識別子(ID): | 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide |
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| P3T | 表記: | (4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE | 組成式: | C12 H22 N3 O5 P | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1CNCCCCN)C | InChi: | InChI=1S/C12H22N3O5P/c1-9-12(16)11(7-14-5-3-2-4-13)10(6-15-9)8-20-21(17,18)19/h6,14,16H,2-5,7-8,13H2,1H3,(H2,17,18,19) | 別名: | PHOSPHORIC ACID MONO-{4-[(4-AMINO-BUTYLAMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER | 定義日: | 2007-05-16 | 最終更新日: | 2024-09-27 | 識別子(ID): | (4-{[(4-aminobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
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| 9ZB | 表記: | 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one | 組成式: | C13 H18 N2 O | SMILES: | CCN1CCN(C(=O)CC)c2ccccc12 | InChi: | InChI=1S/C13H18N2O/c1-3-13(16)15-10-9-14(4-2)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3 | 定義日: | 2017-08-05 | 最終更新日: | 2024-09-27 | 公開日: | 2018-08-29 | 識別子(ID): | 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one |
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| 9ZG | 表記: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate | 組成式: | C20 H26 N4 O3 | SMILES: | CN(CN)N(C)C(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2 | InChi: | InChI=1S/C20H26N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-15,21H2,1-2H3,(H,22,26)/t18-/m0/s1 | 定義日: | 2021-11-22 | 最終更新日: | 2024-09-27 | 公開日: | 2022-01-26 | 識別子(ID): | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate |
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| P4E | 表記: | (2S,4E)-2-amino-5-phenylpent-4-enoic acid | 組成式: | C11 H13 N O2 | SMILES: | O=C(O)C(N)C/C=C/c1ccccc1 | InChi: | InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1 | 定義日: | 2011-10-13 | 最終更新日: | 2024-09-27 | 識別子(ID): | (2S,4E)-2-amino-5-phenylpent-4-enoic acid |
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