产品名称：
4-methyl-beta-ketoadipyl-CoA
其他名称： 4-methyl-3-oxoadipyl-CoA；4-methyl-3-ketoadipyl-CoA；4-methyl-beta-ketoadipyl-CoA
其他名称： 4-methyl-3-oxoadipyl-CoA；4-methyl-3-ketoadipyl-CoA；4-methyl-beta-ketoadipyl-CoA
结构信息
| 分子式 | C28H39N7O20P3S-5 | 分子量 | 918.6 | ||
| IUPAC Name | 6-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4,6-dioxohexanoate | ||||
| InChIKey | OWLTYHQJECVUBE-RXHYMOQPSA-I | ||||
| InChI | InChI=1S/C28H44N7O20P3S/c1-14(8-18(38)39)15(36)9-19(40)59-7-6-30-17(37)4-5-31-26(43)23(42)28(2,3)11-52-58(49,50)55-57(47,48)51-10-16-22(54-56(44,45)46)21(41)27(53-16)35-13-34-20-24(29)32-12-33-25(20)35/h12-14,16,21-23,27,41-42H,4-11H2,1-3H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/p-5/t14?,16-,21-,22-,23+,27-/m1/s1 | ||||
| SMILES | CC(CC(=O)[O-])C(=O)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 | ||||
