 | | 51K | | 表記: | 2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole | | 組成式: | C14 H9 F6 N5 O | | SMILES: | FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2nn(cn2)CCc3nnco3 | | InChi: | InChI=1S/C14H9F6N5O/c15-13(16,17)9-3-8(4-10(5-9)14(18,19)20)12-21-6-25(24-12)2-1-11-23-22-7-26-11/h3-7H,1-2H2 | | 別名: | KPT-251 | | 定義日: | 2012-08-23 | | 最終更新日: | 2021-03-01 | | 公開日: | 2012-08-31 | | 識別子（ID）: | 2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole |
|
 | | L9R | | 表記: | (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | | 組成式: | C44 H86 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,42H,6-20,22,24-41H2,1-5H3/b23-21-/t42-/m0/s1 | | 別名: | 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine | | 定義日: | 2010-03-19 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate |
|
 | | LA2 | | 表記: | N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine | | 組成式: | C14 H28 N2 O3 S2 | | SMILES: | O=C(O)C(N)CCCCNC(=O)CCCCC(S)CCS | | InChi: | InChI=1S/C14H28N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11(21)8-10-20/h11-12,20-21H,1-10,15H2,(H,16,17)(H,18,19)/t11-,12+/m1/s1 | | 別名: | lipoyllysine | | 定義日: | 2008-04-16 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine |
|
 | | 523 | | 表記: | 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE) | | 組成式: | C10 H19 N3 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC([N+]=1C(=O)NC(N)=C(C=1)C)CC2O | | InChi: | InChI=1S/C10H18N3O13P3/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,14H,2,4H2,1H3,(H6,11,12,15,16,17,18,19,20,21,22)/p+1/t6-,7+,8+/m0/s1 | | 別名: | 5-METHYL-2'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE | | 定義日: | 2007-01-22 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate) |
|
 | | LA9 | | 表記: | (2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid | | 組成式: | C21 H33 N2 O6 P | | SMILES: | O=C(NC(C(=O)NC(C)P(=O)(O)CC(C(=O)O)CCc1ccccc1)CC(C)C)C | | InChi: | InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1 | | 別名: | Acetyl-Leu-Ala-y(PO2CH2)-homoPhe-OH | | 定義日: | 2014-12-17 | | 最終更新日: | 2021-03-01 | | 公開日: | 2016-01-20 | | 識別子（ID）: | (2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid |
|
 | | LAM | | 表記: | 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE | | 組成式: | C24 H35 N O17 S | | SMILES: | [O-][N+](=O)c4ccc(OC3OC(CO)C(O)C(OC2OC(CO)C(O)C(SC1OC(C(O)C(O)C1O)CO)C2O)C3O)cc4 | | InChi: | InChI=1S/C24H35NO17S/c26-5-10-13(29)16(32)17(33)24(41-10)43-21-15(31)12(7-28)40-23(19(21)35)42-20-14(30)11(6-27)39-22(18(20)34)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2/t10-,11?,12-,13-,14?,15-,16+,17-,18?,19-,20?,21+,22?,23+,24+/m1/s1 | | 別名: | 4'-NITROPHENYL-3I-THIOLAMINARITRIOSIDE | | 定義日: | 2001-06-04 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 4-nitrophenyl beta-D-glucopyranosyl-(1->3)-3-thio-beta-D-glucopyranosyl-(1->3)hexopyranoside |
|
 | | LAQ | | 表記: | 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE | | 組成式: | C18 H26 N5 O8 P S2 | | SMILES: | O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OC(=O)CCCCC4SSCC4 | | InChi: | InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/t10-,11-,14-,15-,18-/m1/s1 | | 別名: | LIPOYL-AMP | | 定義日: | 2006-12-27 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 5'-O-[(R)-({5-[(3R)-1,2-dithiolan-3-yl]pentanoyl}oxy)(hydroxy)phosphoryl]adenosine |
|
 | | LAS | | 表記: | N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine | | 組成式: | C15 H24 N2 O7 S | | SMILES: | O=C1NC(C(=O)SCC(C(=O)O)NC(=O)C)(C(O)C1C)C(O)C(C)C | | InChi: | InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9?,10+,11+,15-/m1/s1 | | 別名: | LACTACYSTIN | | 定義日: | 2008-07-10 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine |
|
 | | LC2 | | 表記: | N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide | | 組成式: | C25 H33 N O7 | | SMILES: | O=C(C(=O)NC2C=C(C=CC(O)CC=C(C=CC(O)CC1OC(=O)C2(C(=O)C1C)C)C)C)C | | InChi: | InChI=1S/C25H33NO7/c1-14-6-9-18(28)10-8-15(2)12-21(26-23(31)17(4)27)25(5)22(30)16(3)20(33-24(25)32)13-19(29)11-7-14/h6-8,10-12,16,18-21,28-29H,9,13H2,1-5H3,(H,26,31)/b10-8+,11-7+,14-6+,15-12+/t16-,18+,19-,20-,21-,25+/m1/s1 | | 別名: | Lankacidin C | | 定義日: | 2009-09-09 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide |
|
 | | LCL | | 表記: | 2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide | | 組成式: | C11 H12 Cl2 N2 O5 | | SMILES: | O=[N+]([O-])c1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO | | InChi: | InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m0/s1 | | 別名: | L-Chloramphenicol | | 定義日: | 2012-08-16 | | 最終更新日: | 2021-03-01 | | 公開日: | 2013-05-08 | | 識別子（ID）: | 2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide |
|
 | | LCM | | 表記: | N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide) | | 組成式: | C18 H20 N2 O6 | | SMILES: | O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc(O)c2O | | InChi: | InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26) | | 別名: | 4-LICAM | | 定義日: | 2013-01-22 | | 最終更新日: | 2021-03-01 | | 公開日: | 2013-04-03 | | 識別子（ID）: | N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide) |
|
 | | 7WB | | 表記: | (2Z)-2-indol-3-ylidene-3H-1,3-thiazole | | 組成式: | C11 H8 N2 S1 | | SMILES: | N1C=CSC1=C2C=Nc3ccccc23 | | InChi: | InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,12H/b11-9+ | | 別名: | Camalexin | | 定義日: | 2015-06-15 | | 最終更新日: | 2021-03-01 | | 公開日: | 2016-06-29 | | 識別子（ID）: | (2Z)-2-indol-3-ylidene-3H-1,3-thiazole |
|
 | | LDE | | 表記: | (2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid | | 組成式: | C11 H22 N O6 P | | SMILES: | O=P(O)(CC(C(=O)O)CCC(=O)O)C(N)CC(C)C | | InChi: | InChI=1S/C11H22NO6P/c1-7(2)5-9(12)19(17,18)6-8(11(15)16)3-4-10(13)14/h7-9H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9+/m0/s1 | | 別名: | L-LEU-D-GLU PHOSPHINATE PSEUDODIPEPTIDE | | 定義日: | 2011-05-18 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid |
|
 | | LDT | | 表記: | IDD594 | | 組成式: | C16 H12 Br F2 N O3 S | | SMILES: | Brc1cc(F)c(cc1)CNC(=S)c2ccc(F)cc2OCC(=O)O | | InChi: | InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22) | | 別名: | [2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID | | 定義日: | 2003-11-16 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | {2-[(4-bromo-2-fluorobenzyl)carbamothioyl]-5-fluorophenoxy}acetic acid |
|
 | | 7Z1 | | 表記: | (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone | | 組成式: | C29 H29 F N4 O2 | | SMILES: | CCOc1ccc(F)c(c1)[CH](Nc2ccc3c(N)nccc3c2)C(=O)N4CCC[CH]4c5ccccc5 | | InChi: | InChI=1S/C29H29FN4O2/c1-2-36-22-11-13-25(30)24(18-22)27(33-21-10-12-23-20(17-21)14-15-32-28(23)31)29(35)34-16-6-9-26(34)19-7-4-3-5-8-19/h3-5,7-8,10-15,17-18,26-27,33H,2,6,9,16H2,1H3,(H2,31,32)/t26-,27-/m1/s1 | | 別名: | 2-[(1-aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone | | 定義日: | 2016-12-13 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-06-21 | | 識別子（ID）: | (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone |
|
 | | LFA | | 表記: | EICOSANE | | 組成式: | C20 H42 | | SMILES: | C(CCCCCCCCCCCCCCCCC)CC | | InChi: | InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3 | | 別名: | LIPID FRAGMENT | | 定義日: | 2003-11-19 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | icosane |
|
 | | LFX | | 表記: | (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid | | 組成式: | C18 H20 F N3 O4 | | SMILES: | O=C(O)C=1C(=O)c4c2N(C=1)C(COc2c(N3CCN(C)CC3)c(F)c4)C | | InChi: | InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1 | | 別名: | Levofloxacin | | 定義日: | 2009-10-20 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid |
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 | | 7ZR | | 表記: | 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide | | 組成式: | C17 H15 N3 O6 S2 | | SMILES: | COc1ccc(cc1OC)[S](=O)(=O)Nc2scc(n2)c3cccc(c3)[N+]([O-])=O | | InChi: | InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19) | | 別名: | Ro 61-8048 | | 定義日: | 2017-02-23 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-12-27 | | 識別子（ID）: | 3,4-dimethoxy-~{N}-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide |
|
 | | 801 | | 表記: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE | | 組成式: | C13 H11 N5 O | | SMILES: | [O-]c3cccnc3c2nc1cc(ccc1n2)C(=[NH2+])N | | InChi: | InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18) | | 別名: | CRA_1801 | | 定義日: | 2003-03-14 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}pyridin-3-olate |
|
 | | 802 | | 表記: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-FLUOROBENZENOLATE | | 組成式: | C14 H11 F N4 O | | SMILES: | Fc3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])cc3 | | InChi: | InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19) | | 別名: | CRA_1802 | | 定義日: | 2003-03-14 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-fluorophenolate |
|
 | | LG9 | | 表記: | (1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL | | 組成式: | C9 H17 N O5 | | SMILES: | OC2C(C1N(C(C(O)C1O)CO)C2)CO | | InChi: | InChI=1S/C9H17NO5/c11-2-4-6(13)1-10-5(3-12)8(14)9(15)7(4)10/h4-9,11-15H,1-3H2/t4-,5-,6+,7-,8-,9-/m1/s1 | | 別名: | CASUARINE ANALOGUE | | 定義日: | 2009-11-17 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (1R,2R,3R,6R,7R,7aR)-3,7-bis(hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,6-triol |
|
 | | 804 | | 表記: | 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole | | 組成式: | C28 H27 N5 | | SMILES: | N6=C(c1cc5c(cc1)cc(c4ccc(c3ccc(C2=NCCCN2)cc3)cc4)n5)NCCC6 | | InChi: | InChI=1S/C28H27N5/c1-13-29-27(30-14-1)22-9-5-20(6-10-22)19-3-7-21(8-4-19)25-17-23-11-12-24(18-26(23)33-25)28-31-15-2-16-32-28/h3-12,17-18,33H,1-2,13-16H2,(H,29,30)(H,31,32) | | 別名: | DB1804 | | 定義日: | 2011-09-29 | | 最終更新日: | 2021-03-01 | | 公開日: | 2012-09-07 | | 識別子（ID）: | 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole |
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 | | LGN | | 表記: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide | | 組成式: | C62 H117 N O18 | | SMILES: | O=C(NC(COC3OC(C(OC2OC(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O)C2O)C(O)C3O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)54(72)58(49(43-66)79-60)80-62-57(75)59(52(70)48(42-65)78-62)81-61-55(73)53(71)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53-,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1 | | 別名: | Isoglobotrihexosylceramide | | 定義日: | 2011-05-13 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide |
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 | | 815 | | 表記: | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | | 組成式: | C21 H19 N5 O3 S2 | | SMILES: | O=C3N(Cc2cc1c(nccc1cc2)N)CCC3NS(=O)(=O)c5sc4cccnc4c5 | | InChi: | InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1 | | 別名: | RPR208815 | | 定義日: | 2000-05-22 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamide |
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 | | LHP | | 表記: | (3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid | | 組成式: | C27 H44 O4 | | SMILES: | O=C(O)CCC(C4C3(C(C2C(C1(CCC(OC(=O)CC)CC1CC2)C)CC3)CC4)C)C | | InChi: | InChI=1S/C27H44O4/c1-5-25(30)31-19-12-14-26(3)18(16-19)7-8-20-22-10-9-21(17(2)6-11-24(28)29)27(22,4)15-13-23(20)26/h17-23H,5-16H2,1-4H3,(H,28,29)/t17-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1 | | 別名: | Lithocholic acid propionate | | 定義日: | 2013-02-08 | | 最終更新日: | 2021-03-01 | | 公開日: | 2013-06-26 | | 識別子（ID）: | (3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid |
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