3-oxolinoleoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM166247 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 5 formula C39H60N7O18P3S charge -4 mass 1039.29503 reference biggM:CE0713 InChIKey XROJENOQBXZHJA-OUXAGQEVSA-J InChI InChI=1S/C39H64N7O18P3S/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/h8-9,11-12,25-26,28,32-34,38,50-51H,4-7,10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b9-8-,12-11-/t28?,32?,33?,34?,38-/m0/s1 SMILES CCCCC/C=C\C/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-]

Parent-child relations graph

Deprecated MNXref IDs graph