 | | ZAA | | 表記: | (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid | | 組成式: | C29 H26 N4 O4 | | SMILES: | O=C(O)Cc1nn(nc1Cc4cc(OCCc2nc(oc2C)c3ccccc3)ccc4)c5ccccc5 | | InChi: | InChI=1S/C29H26N4O4/c1-20-25(30-29(37-20)22-10-4-2-5-11-22)15-16-36-24-14-8-9-21(17-24)18-26-27(19-28(34)35)32-33(31-26)23-12-6-3-7-13-23/h2-14,17H,15-16,18-19H2,1H3,(H,34,35) | | 別名: | 2-(5-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACETIC ACID | | 定義日: | 2007-12-06 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid |
|
 | | JZA | | 表記: | 4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine | | 組成式: | C7 H12 N2 O4 S | | SMILES: | O=C(N1CCOCC1)N2CCS2(=O)=O | | InChi: | InChI=1S/C7H12N2O4S/c10-7(8-1-4-13-5-2-8)9-3-6-14(9,11)12/h1-6H2 | | 別名: | beta-sultam | | 定義日: | 2009-08-10 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1,1-dioxido-1,2-thiazetidin-2-yl)(morpholin-4-yl)methanone |
|
 | | N | | 表記: | ANY 5'-MONOPHOSPHATE NUCLEOTIDE | | 組成式: | C5 H11 O7 P | | SMILES: | O=P(OCC1OCC(O)C1O)(O)O | | InChi: | InChI=1S/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1 | | 別名: | 1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE | | 定義日: | 1999-07-13 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 1,4-anhydro-5-O-phosphono-D-ribitol |
|
 | | U75 | | 表記: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid | | 組成式: | C23 H22 N4 O3 | | SMILES: | CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3ccc(cc3)C(O)=O | | InChi: | InChI=1S/C23H22N4O3/c1-3-20-19(21(24)27-23(25)26-20)6-4-5-14-11-17(13-18(12-14)30-2)15-7-9-16(10-8-15)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27) | | 別名: | 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid | | 定義日: | 2016-01-07 | | 最終更新日: | 2020-06-17 | | 公開日: | 2017-01-18 | | 識別子（ID）: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid |
|
 | | XAD | | 表記: | 9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)-9H-PURIN-6-AMINE | | 組成式: | C11 H16 N5 O6 P | | SMILES: | O=P(O)(O)OCC3OC(n1cnc2c(ncnc12)N)CCC3O | | InChi: | InChI=1S/C11H16N5O6P/c12-10-9-11(14-4-13-10)16(5-15-9)8-2-1-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1 | | 別名: | 2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL ADENINE | | 定義日: | 2006-06-20 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 9-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)-9H-purin-6-amine |
|
 | | KEA | | 表記: | 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate) | | 組成式: | C9 H13 N6 O7 P | | SMILES: | C2(O)C(C(N1C=CC(N)=NC1=O)OC2COP(=O)(O)O)N=[N+]=[N-] | | InChi: | InChI=1S/C9H13N6O7P/c10-5-1-2-15(9(17)12-5)8-6(13-14-11)7(16)4(22-8)3-21-23(18,19)20/h1-2,4,6-8,16H,3H2,(H2,10,12,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1 | | 別名: | 2'-azidocytidine monophosphate | | 定義日: | 2018-11-28 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-11-27 | | 識別子（ID）: | 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate) |
|
 | | S51 | | 表記: | 2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole | | 組成式: | C26 H25 N3 O | | SMILES: | O=C(c3c1ccccc1n(c2ccccc2)c3Cc4ccccc4)N5CCNCC5 | | InChi: | InChI=1S/C26H25N3O/c30-26(28-17-15-27-16-18-28)25-22-13-7-8-14-23(22)29(21-11-5-2-6-12-21)24(25)19-20-9-3-1-4-10-20/h1-14,27H,15-19H2 | | 別名: | (2-Benzyl-1-phenyl-1H-indol-3-yl)-piperazin-1-yl-methanone | | 定義日: | 2010-09-03 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2-benzyl-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone |
|
 | | S52 | | 表記: | 2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole | | 組成式: | C25 H23 N3 O2 | | SMILES: | O=C(c4c1ccccc1n(c2ccccc2)c4Oc3ccccc3)N5CCNCC5 | | InChi: | InChI=1S/C25H23N3O2/c29-24(27-17-15-26-16-18-27)23-21-13-7-8-14-22(21)28(19-9-3-1-4-10-19)25(23)30-20-11-5-2-6-12-20/h1-14,26H,15-18H2 | | 別名: | (2-Phenoxy-1-phenyl-1H-indol-3-yl)-piperazin-1-yl-methanone | | 定義日: | 2010-09-10 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2-phenoxy-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone |
|
 | | L8P | | 表記: | ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid | | 組成式: | C8 H14 N3 O6 P | | SMILES: | O=P(O)(O)COC(CN1C=CC(=NC1=O)N)CO | | InChi: | InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1 | | 別名: | Cidofovir | | 定義日: | 2011-02-01 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid |
|
 | | XAT | | 表記: | (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL | | 組成式: | C40 H56 O4 | | SMILES: | OC1CC(C)(C)C2(OC2(C)C1)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C34OC4(C)CC(O)CC3(C)C)C)C)C)C | | InChi: | InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1 | | 別名: | VIOLAXANTHIN | | 定義日: | 2003-12-22 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (3S,3'S,5R,5'R,6S,6'S)-5,5',6,6'-tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene-3,3'-diol |
|
 | | JKM | | 表記: | 1-[(2S,3aS,4S,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(
1H,3H)-dione | | 組成式: | C9 H11 N2 O8 P | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C3OP(=O)(O)OC23)CO | | InChi: | InChI=1S/C9H11N2O8P/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)/t4-,6-,7+,8+/m1/s1 | | 別名: | Uridine 2',3'-cyclophosphate | | 定義日: | 2012-02-24 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 1-[(2S,3aS,4S,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione |
|
 | | MG9 | | 表記: | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol | | 組成式: | C21 H20 F6 N4 O3 S | | SMILES: | O=S(=O)(c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3 | | InChi: | InChI=1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)/t16-/m0/s1 | | 別名: | AMG-3969 | | 定義日: | 2013-10-02 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-05-07 | | 識別子（ID）: | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol |
|
 | | QYM | | 表記: | (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol | | 組成式: | C28 H37 N O3 | | SMILES: | c1c3c(cc(c1)O)CCC4C2CCC(C2(CC(C34)c5ccc(cc5)OCCN(C)C)C)O | | InChi: | InChI=1S/C28H37NO3/c1-28-17-24(18-4-8-21(9-5-18)32-15-14-29(2)3)27-22-11-7-20(30)16-19(22)6-10-23(27)25(28)12-13-26(28)31/h4-5,7-9,11,16,23-27,30-31H,6,10,12-15,17H2,1-3H3/t23-,24+,25-,26-,27-,28-/m0/s1 | | 別名: | RU39411 | | 定義日: | 2020-01-15 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-01-29 | | 識別子（ID）: | (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol |
|
 | | NNR | | 表記: | Nicotinamide riboside | | 組成式: | C11 H15 N2 O5 | | SMILES: | O=C(c1ccc[n+](c1)C2OC(C(O)C2O)CO)N | | InChi: | InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1 | | 別名: | 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium | | 定義日: | 2007-08-06 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-carbamoyl-1-beta-D-ribofuranosylpyridinium |
|
 | | MGE | | 表記: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE | | 組成式: | C38 H72 O10 | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCC | | InChi: | InChI=1S/C38H72O10/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-34(41)47-31(30-46-38-37(44)36(43)35(42)32(28-39)48-38)29-45-33(40)26-24-22-20-18-14-12-10-8-6-4-2/h31-32,35-39,42-44H,3-30H2,1-2H3/t31-,32+,35+,36+,37+,38-/m1/s1 | | 別名: | MONOGALACTOSYL-DIACYLGLYCEROL | | 定義日: | 2005-10-03 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1S)-2-(alpha-L-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl hexadecanoate |
|
 | | U7V | | 表記: | Tedizolid | | 組成式: | C17 H15 F N6 O3 | | SMILES: | c2cc(c1nn(C)nn1)ncc2c3c(F)cc(cc3)N4CC(OC4=O)CO | | InChi: | InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1 | | 別名: | torezolid | | 定義日: | 2020-04-30 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-06-03 | | 識別子（ID）: | (5R)-3-{3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one |
|
 | | UMO | | 表記: | 2'-F-4'-OMe U | | 組成式: | C10 H14 F N2 O9 P | | SMILES: | C2(N1C(NC(=O)C=C1)=O)C(F)C(C(OC)(O2)COP(O)(=O)O)O | | InChi: | InChI=1S/C10H14FN2O9P/c1-20-10(4-21-23(17,18)19)7(15)6(11)8(22-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t6-,7+,8-,10-/m1/s1 | | 別名: | [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate | | 定義日: | 2017-05-18 | | 最終更新日: | 2020-06-17 | | 公開日: | 2017-10-04 | | 識別子（ID）: | [(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-2-methoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
|
 | | UMP | | 表記: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE | | 組成式: | C9 H13 N2 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O | | InChi: | InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | | 別名: | DUMP | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2'-deoxy-5'-uridylic acid |
|
 | | L98 | | 表記: | (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID | | 組成式: | C10 H13 N3 O2 S | | SMILES: | O=C(O)C(c1cc(NC(=[N@H])N)ccc1)CS | | InChi: | InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)/t8-/m1/s1 | | 別名: | 2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID | | 定義日: | 2005-04-28 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R)-2-(3-carbamimidamidophenyl)-3-sulfanylpropanoic acid |
|
 | | ZC0 | | 表記: | Contezolid | | 組成式: | C18 H15 F3 N4 O4 | | SMILES: | C1C(C=CN(C1)c2c(F)cc(c(c2F)F)N3CC(OC3=O)CNc4ccon4)=O | | InChi: | InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1 | | 別名: | MRX-I | | 定義日: | 2020-04-29 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-06-03 | | 識別子（ID）: | 1-{2,3,6-trifluoro-4-[(5S)-5-{[(1,2-oxazol-3-yl)amino]methyl}-2-oxo-1,3-oxazolidin-3-yl]phenyl}-2,3-dihydropyridin-4(1H)-one |
|
 | | UN3 | | 表記: | (2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID | | 組成式: | C10 H11 N3 O3 S | | SMILES: | O=S(=O)(O)Nc1cc(nn1C)c2ccccc2 | | InChi: | InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16) | | 別名: | 1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID | | 定義日: | 2005-12-01 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfamic acid |
|
 | | O31 | | 表記: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop
ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,
3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide | | 組成式: | C38 H46 F4 N6 O9 S | | SMILES: | C7(C(C(NS(C1(C)CC1)(=O)=O)=O)(NC(C3CC4Oc6c(C(C=CCOC2C(CCC2)OC(=O)NC(C(N3C4)=O)C(C)(C)C)(F)F)nc5ccccc5n6)=O)C7)C(F)F | | InChi: | InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1 | | 別名: | glecaprevir | | 定義日: | 2019-06-05 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-06-10 | | 識別子（ID）: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide |
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 | | NA9 | | 表記: | N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | | 組成式: | C22 H34 N6 O4 | | SMILES: | O=C(O)CNC(C(=O)N(C)C(C(=O)NCc1cnc(C(=[N@H])N)cc1)C)CC2CCCCC2 | | InChi: | InChI=1S/C22H34N6O4/c1-14(21(31)27-12-16-8-9-17(20(23)24)25-11-16)28(2)22(32)18(26-13-19(29)30)10-15-6-4-3-5-7-15/h8-9,11,14-15,18,26H,3-7,10,12-13H2,1-2H3,(H3,23,24)(H,27,31)(H,29,30)/t14-,18+/m0/s1 | | 別名: | 2-((R)-1-(((S)-1-((6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLAMINO)-1-OXOPROPAN-2-YL)(METHYL)AMINO)-3-CYCLOHEXYL-1-OXOPROPAN-2-
YLAMINO)ACETIC ACID | | 定義日: | 2006-10-27 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(6-carbamimidoylpyridin-3-yl)methyl]-N~2~-methyl-L-alaninamide |
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 | | O34 | | 表記: | yersiniabactin | | 組成式: | C21 H27 N3 O4 S3 | | SMILES: | N1=C(SCC1C2NC(CS2)C(O)C(C3=NC(CS3)(C(O)=O)C)(C)C)c4c(O)cccc4 | | InChi: | InChI=1S/C21H27N3O4S3/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25/h4-7,12-13,15,17,22,25-26H,8-10H2,1-3H3,(H,27,28)/t12-,13+,15+,17+,21+/m0/s1 | | 別名: | (4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-met
hylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid | | 定義日: | 2019-06-05 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-03-04 | | 識別子（ID）: | (4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-methylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
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 | | L9Q | | 表記: | (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate | | 組成式: | C41 H80 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m0/s1 | | 別名: | 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine | | 定義日: | 2010-03-19 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (21S,24S)-27-amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl (9Z)-octadec-9-enoate |
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