产品名称：
ketobutyryl-CoA
其他名称： ketobutyryl-CoA；ketobutyrylcoenzyme-A；K-BUTYRYL-COA
其他名称： ketobutyryl-CoA；ketobutyrylcoenzyme-A；K-BUTYRYL-COA
结构信息
| 分子式 | C25H36N7O18P3S-4 | 分子量 | 847.6 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(2-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | ULJYRTGJFFJSEO-NDZSKPAWSA-J | ||||
| InChI | InChI=1S/C25H40N7O18P3S/c1-4-13(33)24(38)54-8-7-27-15(34)5-6-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t14-,17-,18-,19+,23-/m1/s1 | ||||
| SMILES | CCC(=O)C(=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 | ||||
