18-oxo-oleoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM147695 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C39H62N7O18P3S charge -4 mass 1041.31068 reference metacycM:CPD-17623 InChIKey WHOASQMNRGOGJB-UTNXWDCOSA-J InChI InChI=1S/C39H66N7O18P3S/c1-39(2,34(51)37(52)42-20-19-29(48)41-21-23-68-30(49)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-47)25-61-67(58,59)64-66(56,57)60-24-28-33(63-65(53,54)55)32(50)38(62-28)46-27-45-31-35(40)43-26-44-36(31)46/h3-4,22,26-28,32-34,38,50-51H,5-21,23-25H2,1-2H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b4-3-/t28-,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

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Deprecated MNXref IDs graph