产品名称： 4-methylpent-2-enoyl-CoA
其他名称： 4-methylpent-2-enoyl-CoA；isocaprenoyl-CoA；4-methylpent-2-enoyl-CoA(4-)；CHEBI:87120
其他名称： 4-methylpent-2-enoyl-CoA；isocaprenoyl-CoA；4-methylpent-2-enoyl-CoA(4-)；CHEBI:87120
结构信息
| 分子式 | C27H40N7O17P3S-4 | 分子量 | 859.6 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-[(E)-4-methylpent-2-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | GJLUGLKKLPHWPU-SYLRIUJSSA-J | ||||
| InChI | InChI=1S/C27H44N7O17P3S/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/h5-6,13-16,20-22,26,37-38H,7-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b6-5+/t16-,20-,21-,22+,26-/m1/s1 | ||||
| SMILES | CC(C)C=CC(=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 | ||||
