产品名称:
isocaproyl-CoA
其他名称: isocaproyl-CoA;4-methylpentanoyl-CoA;4-methylpentanoyl-CoA(4-);CHEBI:131445;Q27225133
其他名称: isocaproyl-CoA;4-methylpentanoyl-CoA;4-methylpentanoyl-CoA(4-);CHEBI:131445;Q27225133
结构信息
分子式 | C27H42N7O17P3S-4 | 分子量 | 861.6 | ||
IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-(4-methylpentanoylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
InChIKey | GESPQCUXDWNNGU-HDRQGHTBSA-J | ||||
InChI | InChI=1S/C27H46N7O17P3S/c1-15(2)5-6-18(36)55-10-9-29-17(35)7-8-30-25(39)22(38)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-21(50-52(40,41)42)20(37)26(49-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,37-38H,5-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/t16-,20-,21-,22+,26-/m1/s1 | ||||
SMILES | CC(C)CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O |