4-carboxycyclohexanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM32740 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C29H41N7O19P3S charge -5 mass 916.14182 reference metacycM:1-CARBOXYCYCLOHEXANOYL-COA InChIKey UJHYDTBZLMASAV-AZKLLKNGSA-I InChI InChI=1S/C29H46N7O19P3S/c1-29(2,22(39)25(40)32-8-7-18(37)31-9-10-59-28(43)16-5-3-15(4-6-16)27(41)42)12-52-58(49,50)55-57(47,48)51-11-17-21(54-56(44,45)46)20(38)26(53-17)36-14-35-19-23(30)33-13-34-24(19)36/h13-17,20-22,26,38-39H,3-12H2,1-2H3,(H,31,37)(H,32,40)(H,41,42)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/p-5/t15?,16?,17-,20-,21-,22+,26-/m1/s1 SMILES CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCC(C(=O)[O-])CC1

Parent-child relations graph

Deprecated MNXref IDs graph