omega-carboxy-(9Z)-octadec-9-enoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM148386 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C39H61N7O19P3S charge -5 mass 1056.29832 reference metacycM:CPD-17624 InChIKey IISWKVFHQLAOMW-BTFUZUOASA-I InChI InChI=1S/C39H66N7O19P3S/c1-39(2,34(52)37(53)42-20-19-28(47)41-21-22-69-30(50)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-29(48)49)24-62-68(59,60)65-67(57,58)61-23-27-33(64-66(54,55)56)32(51)38(63-27)46-26-45-31-35(40)43-25-44-36(31)46/h3-4,25-27,32-34,38,51-52H,5-24H2,1-2H3,(H,41,47)(H,42,53)(H,48,49)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/p-5/b4-3-/t27-,32-,33-,34+,38-/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)CCCCCCC/C=C\CCCCCCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph