小分子和化合物库
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1-肉豆蔻酰基-2-棕榈酰基-sn-甘油-3-磷酸胆碱(MPPC)CAS号: 69525-80-0分子式: C38H76NO8P 分子量: 705.986IUPAC Name: [(2R)-2-hexadecanoyloxy-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)CInChIKey: RFVFQQWKPSOBED-PSXMRANNSA-NInChI: 1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/t36-/m1/s1
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1-肉豆蔻基-2-羟基-sn-甘油-3-磷酸胆碱CAS号: 20559-16-4分子式: C22H46NO7P 分子量: 467.577IUPAC Name: [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OInChIKey: VXUOFDJKYGDUJI-OAQYLSRUSA-NInChI: 1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/t21-/m1/s1
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1-肉豆蔻基-2-羟基-sn-甘油-3-磷酸乙醇胺CAS号: 123060-40-2分子式: C19H40NO7P 分子量: 425.497IUPAC Name: 2-azaniumylethyl [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] phosphateSMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OInChIKey: RPXHXZNGZBHSMJ-GOSISDBHSA-NInChI: 1S/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h18,21H,2-17,20H2,1H3,(H,23,24)/t18-/m1/s1
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1-十八烷酰基-sn-甘油-3-磷酸-(1′rac甘油)(钠盐)CAS号: 326495-21-0 Compound CID : 131675262分子式: C20H40O9PNa 分子量: 478.49IUPAC Name: sodium;2,3-dihydroxypropyl [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] phosphateSMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O.[Na+]InChIKey: VMHJESQIJHKLBB-SQTGWKPBSA-MInChI: 1S/C20H41O9P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)27-15-19(23)17-29-30(25,26)28-16-18(22)14-21;/h18-19,21-23H,2-17H2,1H3,(H,25,26);/q;+1/p-1/t18?,19-;/m1./s1
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N-辛酰基-鞘氨醇-1-{琥珀酰[甲氧基(聚乙二醇)750]}CAS号: 212116-76-2 Compound CID : 118146581分子式: C33H61NO7 分子量: 583.8IUPAC Name: 4-O-[(E)-3-hydroxy-2-(octanoylamino)octadec-4-enyl] 1-O-(2-methoxyethyl) butanedioateSMILES: CCCCCCCCCCCCCC=CC(C(COC(=O)CCC(=O)OCCOC)NC(=O)CCCCCCC)OInChIKey: DCKQGISDYCEVDT-LSDHQDQOSA-NInChI: 1S/C33H61NO7/c1-4-6-8-10-11-12-13-14-15-16-17-19-20-22-30(35)29(34-31(36)23-21-18-9-7-5-2)28-41-33(38)25-24-32(37)40-27-26-39-3/h20,22,29-30,35H,4-19,21,23-28H2,1-3H3,(H,34,36)/b22-20+
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N-棕榈酰-鞘氨醇-1-{琥珀酰[甲氧基(聚乙二醇)2000]}CAS号: 212116-78-4 Compound CID : 156593866分子式: C41H77NO7 分子量: 696.1IUPAC Name: 4-O-[(E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 1-O-(2-methoxyethyl) butanedioateSMILES: CCCCCCCCCCCCCCCC(=O)NC(COC(=O)CCC(=O)OCCOC)C(C=CCCCCCCCCCCCCC)OInChIKey: AVEKIUFLDWAVJR-SJCQXOIGSA-NInChI: See more
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1-油酰基-2-羟基-sn-甘油-3-磷酸胆碱CAS号: 19420-56-5分子式: C26H52NO7P 分子量: 521.67IUPAC Name: [(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OInChIKey: YAMUFBLWGFFICM-PTGWMXDISA-NInChI: 1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1
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1-油酰基-2-羟基-sn-甘油-3-磷酸乙醇胺CAS号: 89576-29-4分子式: C23H46NO7P 分子量: 479.588IUPAC Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-octadec-9-enoateSMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OInChIKey: PYVRVRFVLRNJLY-MZMPXXGTSA-NInChI: 1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1
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1-O-十六烷基-2-羟基-sn-甘油-3-磷酸胆碱CAS号: 52691-62-0分子式: C24H52NO6P 分子量: 481.647IUPAC Name: [(2R)-3-hexadecoxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OInChIKey: VLBPIWYTPAXCFJ-XMMPIXPASA-NInChI: 1S/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3/t24-/m1/s1
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1-棕榈酰基-2-(10,12-三甲苯二酰基)-sn-甘油-3-磷酸胆碱CAS号: 84271-00-1 Compound CID : 20611887分子式: C47H86NO8P 分子量: 824.2IUPAC Name: [(2R)-3-hexadecanoyloxy-2-tricosa-10,12-diynoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC#CC#CCCCCCCCCCCInChIKey: IAFCRBIQENPXTJ-WBVITSLISA-NInChI: See more
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1-棕榈酰基-2-油酰基-sn-甘油-3-磷酸-(1'-rac-甘油)(钠盐)CAS号: 268550-95-4分子式: C40H76O10PNa 分子量: 770.989IUPAC Name: sodium;2,3-dihydroxypropyl [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphateSMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]InChIKey: FJXDNGDRHUDFST-XQYKCTAGSA-MInChI: See more
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1-棕榈酰基-2-肉豆蔻酰基-sn-甘油-3-磷酸胆碱CAS号: 69441-09-4分子式: C38H76NO8P 分子量: 705.986IUPAC Name: [(2R)-3-hexadecanoyloxy-2-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCInChIKey: UIXXHROAQSBBOV-PSXMRANNSA-NInChI: 1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/t36-/m1/s1
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