 | | URD | | 表記: | 1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIHYDROXY-5-(HYDROXYMETHYL)FURAN-2-YL)PYRIDINE-2,4(1H,3H)-DIONE | | 組成式: | C10 H13 N O6 | | SMILES: | O=C1C=CN(C(=O)C1)C2OC(C(O)C2O)CO | | InChi: | InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2/t6-,8-,9-,10-/m1/s1 | | 別名: | 3-DEAZAURIDINE | | 定義日: | 2005-04-08 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 1-beta-D-ribofuranosylpyridine-2,4(1H,3H)-dione |
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 | | US2 | | 表記: | 2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate) | | 組成式: | C10 H15 N2 O8 P S | | SMILES: | O=C1NC(=O)N(C=C1SC)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C10H15N2O8PS/c1-22-7-3-12(10(15)11-9(7)14)8-2-5(13)6(20-8)4-19-21(16,17)18/h3,5-6,8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6+,8+/m0/s1 | | 別名: | 5-SMe-deoxyuridine-5'-phosphate | | 定義日: | 2009-06-10 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate) |
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 | | US3 | | 表記: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one | | 組成式: | C10 H15 N2 O7 P Se | | SMILES: | O=P(O)(O)OCC2OC(N1C(=NC(=O)C(=C1)C)[SeH])CC2O | | InChi: | InChI=1S/C10H15N2O7PSe/c1-5-3-12(10(21)11-9(5)14)8-2-6(13)7(19-8)4-18-20(15,16)17/h3,6-8,13H,2,4H2,1H3,(H,11,14,21)(H2,15,16,17)/t6-,7+,8+/m0/s1 | | 別名: | 2-Se-Thymidine-5'-phosphate | | 定義日: | 2009-06-15 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one |
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 | | US5 | | 表記: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one | | 組成式: | C9 H13 N2 O8 P Se | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C([SeH])C=C1)C(O)C2O | | InChi: | InChI=1S/C9H13N2O8PSe/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1 | | 別名: | 4-Se-ribouridine-5'-phosphate | | 定義日: | 2009-07-17 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one |
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 | | UT0 | | 表記: | 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone | | 組成式: | C19 H20 N2 O4 S | | SMILES: | CCOc1ccc(cc1Nc2ccc3ccn(c3c2)[S](C)(=O)=O)C(C)=O | | InChi: | InChI=1S/C19H20N2O4S/c1-4-25-19-8-6-15(13(2)22)11-17(19)20-16-7-5-14-9-10-21(18(14)12-16)26(3,23)24/h5-12,20H,4H2,1-3H3 | | 別名: | UT07C | | 定義日: | 2016-12-09 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-12-20 | | 識別子（ID）: | 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone |
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 | | UTX | | 表記: | 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide | | 組成式: | C21 H29 B12 N6 O5 S | | SMILES: | ON1[CH](NCCCCCCOC(=O)NC(=O)C[SH](CCC#N)[B]2345[B]678[B]9%10%11[B]%12%13%14[B]69%15[B]%12%16%17[B]%13%18%19[B]%10%14%20[B]27%11[B]3%18%20[B]4%16%19[B]58%15%17)[CH](C#N)N(O)c%21ccccc1%21 | | InChi: | InChI=1S/C21H29B12N6O5S/c34-10-7-13-45(15-19(40)37-21(41)44-12-6-2-1-5-11-36-20-18(14-35)38(42)16-8-3-4-9-17(16)39(20)43)33-28-23-22-24(23,28)26(22)27(22)25(22,23)29(23,28,33)31(25,27,33)32(26,27,33)30(24,26,28)33/h3-4,8-9,18,20,36,42-43,45H,1-2,5-7,11-13,15H2,(H,37,40,41)/t18-,20+/m1/s1 | | 別名: | UTX-97 | | 定義日: | 2016-12-08 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-06-28 |
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 | | 9PC | | 表記: | 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide | | 組成式: | C14 H8 Cl F2 N3 O2 S | | SMILES: | Fc3ccc(OCc1nc2cc(Cl)cnc2s1)c(F)c3C(=O)N | | InChi: | InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21) | | 別名: | PC190723 | | 定義日: | 2012-01-27 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide |
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 | | 9PD | | 表記: | Dodecyldimethylphosphine oxide | | 組成式: | C14 H31 O P | | SMILES: | CCCCCCCCCCCCP(=O)(C)C | | InChi: | InChI=1S/C14H31OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3 | | 別名: | APO-12 | | 定義日: | 2020-04-16 | | 最終更新日: | 2021-03-01 | | 公開日: | 2020-10-28 | | 識別子（ID）: | dodecyl(dimethyl)oxo-lambda~5~-phosphane |
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 | | 9PE | | 表記: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate | | 組成式: | C30 H60 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCC | | InChi: | InChI=1S/C30H60NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-30(33)39-28(27-38-40(34,35)37-25-24-31)26-36-29(32)22-20-8-6-4-2/h28H,3-27,31H2,1-2H3,(H,34,35)/t28-/m1/s1 | | 別名: | 3-SN-PHOSPHATIDYLETHANOLAMINE | | 定義日: | 2008-04-28 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate |
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 | | 9PL | | 表記: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one | | 組成式: | C11 H16 N2 O2 | | SMILES: | O=C2OCC(Cc1n(cnc1)C)C2CC | | InChi: | InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1 | | 別名: | PILOCARPINE | | 定義日: | 2011-07-26 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one |
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 | | UVP | | 表記: | 1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium | | 組成式: | C11 H16 N2 O8 P | | SMILES: | O=P(O)([C@H]=CC1OC(C(C1O)OC)[n+]2c(O)nc(O)cc2)O | | InChi: | InChI=1S/C11H15N2O8P/c1-20-9-8(15)6(3-5-22(17,18)19)21-10(9)13-4-2-7(14)12-11(13)16/h2-6,8-10,15H,1H3,(H3,12,14,16,17,18,19)/p+1/b5-3+/t6-,8-,9-,10-/m1/s1 | | 別名: | uridine vinyl phosphonate | | 定義日: | 2016-11-15 | | 最終更新日: | 2021-03-01 | | 公開日: | 2016-12-14 | | 識別子（ID）: | 1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium |
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 | | 9QY | | 表記: | methyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate | | 組成式: | C20 H19 Cl N2 O4 | | SMILES: | COC(=O)c3c(cc(c(c3CCc2nccn2Cc1ccccc1)Cl)O)O | | InChi: | InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3 | | 別名: | resorcinylic inhibitor BnIm | | 定義日: | 2017-06-01 | | 最終更新日: | 2021-03-01 | | 公開日: | 2018-04-18 | | 識別子（ID）: | methyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate |
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 | | MEI | | 表記: | (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID | | 組成式: | C16 H28 O3 | | SMILES: | O=C(O)C=C(C=CCC(CCCC(OC)(C)C)C)C | | InChi: | InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+/t13-/m1/s1 | | 別名: | METOPRENIC ACID | | 定義日: | 2003-08-26 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid |
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 | | 9SC | | 表記: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one | | 組成式: | C23 H27 Cl2 N3 O2 | | SMILES: | Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl | | InChi: | InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29) | | 別名: | Aripiprazole | | 定義日: | 2018-07-11 | | 最終更新日: | 2021-03-01 | | 公開日: | 2018-10-24 | | 識別子（ID）: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1~{H}-quinolin-2-one |
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 | | MEM | | 表記: | (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | | 組成式: | C17 H25 N3 O5 S | | SMILES: | O=C(N(C)C)C3NCC(SC2=C(C(=O)O)N1C(=O)C(C(O)C)C1C2C)C3 | | InChi: | InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1 | | 別名: | Meropenem (closed form) | | 定義日: | 2012-04-30 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
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 | | 9SL | | 表記: | [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate | | 組成式: | C10 H17 N7 O4 | | SMILES: | C132C(CCN1C(=NC(COC(=O)N)C2NC(=N3)N)N)(O)O | | InChi: | InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1 | | 別名: | Saxitoxin | | 定義日: | 2018-07-18 | | 最終更新日: | 2021-03-01 | | 公開日: | 2018-08-08 | | 識別子（ID）: | [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate |
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 | | 9SR | | 表記: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name) | | 組成式: | C11 H17 N3 O8 | | SMILES: | N1C32C(C(N=C1N)O)C4C(CO)(C(C2O)OC(C3O)(O4)O)O | | InChi: | InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1 | | 別名: | Tetrodotoxin | | 定義日: | 2018-07-18 | | 最終更新日: | 2021-03-01 | | 公開日: | 2018-08-08 | | 識別子（ID）: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name) |
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 | | 9SV | | 表記: | 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione | | 組成式: | C21 H20 N2 O2 S | | SMILES: | C1N(CCN(C1)C2=C(C(c3ccccc3C2=O)=O)Sc4ccccc4)C | | InChi: | InChI=1S/C21H20N2O2S/c1-22-11-13-23(14-12-22)18-19(24)16-9-5-6-10-17(16)20(25)21(18)26-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3 | | 別名: | BOUND FORM | | 定義日: | 2017-06-07 | | 最終更新日: | 2021-03-01 | | 公開日: | 2017-06-21 | | 識別子（ID）: | 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione |
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 | | MF5 | | 表記: | 1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine | | 組成式: | C14 H10 F5 N2 O | | SMILES: | Fc1c(F)c(F)c(F)c(F)c1CON=Cc2[n+](cccc2)C | | InChi: | InChI=1S/C14H10F5N2O/c1-21-5-3-2-4-8(21)6-20-22-7-9-10(15)12(17)14(19)13(18)11(9)16/h2-6H,7H2,1H3/q+1/b20-6+ | | 別名: | methyl2-(pentafluorobenzyloxyimino)pyridinium | | 定義日: | 2012-07-04 | | 最終更新日: | 2021-03-01 | | 公開日: | 2012-08-24 | | 識別子（ID）: | 1-methyl-2-[(E)-{[(pentafluorobenzyl)oxy]imino}methyl]pyridinium |
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 | | 9TB | | 表記: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | | 組成式: | C19 H24 F N3 O8 | | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)NCc1ccc(F)cc1)C(O)=O)C(O)=O | | InChi: | InChI=1S/C19H24FN3O8/c20-12-6-4-11(5-7-12)10-21-15(24)3-1-2-13(17(27)28)22-19(31)23-14(18(29)30)8-9-16(25)26/h4-7,13-14H,1-3,8-10H2,(H,21,24)(H,25,26)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1 | | 別名: | CFBzOG | | 定義日: | 2017-07-10 | | 最終更新日: | 2021-03-01 | | 公開日: | 2018-08-01 | | 識別子（ID）: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid |
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 | | MFX | | 表記: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | | 組成式: | C21 H24 F N3 O4 | | SMILES: | Fc2cc1C(=O)C(C(=O)O)=CN(c1c(OC)c2N4CC3CCCNC3C4)C5CC5 | | InChi: | InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1 | | 別名: | moxifloxacin | | 定義日: | 2009-01-15 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
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 | | MG0 | | 表記: | 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol | | 組成式: | C18 H18 F6 N4 O3 S | | SMILES: | O=S(=O)(c1ccc(nc1)N)N3CCN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3 | | InChi: | InChI=1S/C18H18F6N4O3S/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-7-9-28(10-8-27)32(30,31)14-5-6-15(25)26-11-14/h1-6,11,29H,7-10H2,(H2,25,26) | | 別名: | AMG-5980 | | 定義日: | 2013-10-02 | | 最終更新日: | 2021-03-01 | | 公開日: | 2014-05-07 | | 識別子（ID）: | 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol |
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 | | MGD | | 表記: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE | | 組成式: | C20 H26 N10 O13 P2 S2 | | SMILES: | O=C1C=2NC3C(S)=C(S)C(OC3NC=2N=C(N)N1)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O | | InChi: | InChI=1S/C20H26N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/t4-,5-,6+,9-,10-,17-,18-/m1/s1 | | 別名: | MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE | | 定義日: | 1999-07-08 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 5'-O-[(R)-{[(S)-{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine |
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 | | MGJ | | 表記: | N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide | | 組成式: | C20 H27 N5 O4 | | SMILES: | O=C(O)CN(CCCc1ccccc1)CC(=O)NC(C(=O)NC)Cc2ncnc2 | | InChi: | InChI=1S/C20H27N5O4/c1-21-20(29)17(10-16-11-22-14-23-16)24-18(26)12-25(13-19(27)28)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,29)(H,22,23)(H,24,26)(H,27,28)/t17-/m0/s1 | | 別名: | [{[(S)-2-(1H-Imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid | | 定義日: | 2011-04-19 | | 最終更新日: | 2021-03-01 | | 公開日: | 2013-08-28 | | 識別子（ID）: | N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide |
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 | | MGK | | 表記: | methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate | | 組成式: | C20 H26 N4 O5 | | SMILES: | O=C(O)CN(CCCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2 | | InChi: | InChI=1S/C20H26N4O5/c1-29-20(28)17(10-16-11-21-14-22-16)23-18(25)12-24(13-19(26)27)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,22)(H,23,25)(H,26,27)/t17-/m0/s1 | | 別名: | ((S)-2-{2-[Carboxymethyl-(3-phenyl-propyl)-amino]-acetylamino}-3-(1H-imidazol-4-yl)-propionic acid methyl ester | | 定義日: | 2011-04-19 | | 最終更新日: | 2021-03-01 | | 公開日: | 2013-04-03 | | 識別子（ID）: | methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate |
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