4-methyl-3-oxoadipyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM8146 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C28H39N7O20P3S charge -5 mass 918.12109 reference metacycM:CPD-10832 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@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph