3-oxo-13cis-docosenoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM163189 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 8 formula C43H70N7O18P3S charge -4 mass 1097.37328 reference biggM:CE5152 InChIKey TWKFVJBYYSLPHE-MVWMFJOUSA-J InChI InChI=1S/C43H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h11-12,29-30,32,36-38,42,54-55H,4-10,13-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b12-11-/t32?,36?,37?,38?,42-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCC(=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