3-oxo-cis-9-octadecenoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM163191 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 4 formula C39H62N7O18P3S charge -4 mass 1041.31068 reference biggM:CE5160 InChIKey AVEYYKDEKGJVBU-BTGYZWEPSA-J InChI InChI=1S/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h11-12,25-26,28,32-34,38,50-51H,4-10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b12-11-/t28?,32?,33?,34?,38-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1O[C@H](n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-]

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Deprecated MNXref IDs graph