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小分子和化合物库
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阿哌沙班CAS号: 503612-47-3 EC号: 639-684-6分子式: C25H25N5O4 分子量: 459.51IUPAC Name: 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamideSMILES: COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)NInChIKey: QNZCBYKSOIHPEH-UHFFFAOYSA-NInChI: 1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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顺-11-二十碳烯酸分子式: CH3(CH2)7CH=CH(CH2)9CO2H 分子量: 310.51IUPAC Name: (Z)-icos-11-enoic acidSMILES: CCCCCCCC\C=C/CCCCCCCCCC(O)=OInChIKey: BITHHVVYSMSWAG-KTKRTIGZSA-NInChI: 1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-
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邻苯二甲酸二辛酯（DOP）分子式: C24H38O4 分子量: 390.56IUPAC Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylateSMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCCInChIKey: BJQHLKABXJIVAM-UHFFFAOYSA-NInChI: 1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
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5(S)-HETE-d8CAS号: 330796-62-8分子式: C20H24D8O3 分子量: 328.52IUPAC Name: (5S,6E,8Z,11Z,14Z)-5,6,8,9,11,12,14,15-octadeuterio-5-hydroxyicosa-6,8,11,14-tetraenoic acidSMILES: CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)OInChIKey: KGIJOOYOSFUGPC-IWMWOOIASA-NInChI: 1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1/i6D,7D,9D,10D,12D,13D,16D,19D
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白三烯B4-d4CAS号: 124629-74-9分子式: C20H28D4O4 分子量: 340.5IUPAC Name: (5S,6Z,8E,10E,12R,14Z)-6,7,14,15-tetradeuterio-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acidSMILES: CCCCC/C=C\C[C@@H](O)/C=C/C=C\C=C\[C@@H](O)CCCC(=O)OInChIKey: VNYSSYRCGWBHLG-PHKHWAPOSA-NInChI: 1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1/i6D,9D,11D,15D
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十八碳四烯酸CAS号: 20290-75-9 Compound CID : 5312508分子式: C18H28O2 分子量: 276.41IUPAC Name: (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acidSMILES: CCC=CCC=CCC=CCC=CCCCCC(=O)OInChIKey: JIWBIWFOSCKQMA-LTKCOYKYSA-NInChI: 1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-
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8-姜烯酚CAS号: 36700-45-5分子式: C19H28O3 分子量: 304.42IUPAC Name: (E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-oneSMILES: CCCCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OCInChIKey: LGZSMXJRMTYABD-MDZDMXLPSA-NInChI: 1S/C19H28O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h9-10,12,14-15,21H,3-8,11,13H2,1-2H3/b10-9+
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dATP (100mM)分子式: C10H13N5Na3O12P3(anhydrous) 分子量: 557.13(anhydrous)IUPAC Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateSMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]InChIKey: SUYVUBYJARFZHO-RRKCRQDMSA-NInChI: 1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
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dGTP (100mM)CAS号: 93919-41-6 EC号: 300-026-5分子式: C10H13N5Na3O13P3 分子量: 573.13IUPAC Name: trisodium;[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphateSMILES: C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]InChIKey: IWGGLKOTEOCWQP-BIHLCPNHSA-KInChI: See more
