3-cis-octadecenoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM117396 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C39H64N7O17P3S charge -4 mass 1027.33142 reference metacycM:CPD-14922 InChIKey IOTBMNGZJSHZRE-LEUWVDFHSA-J InChI InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h17-18,26-28,32-34,38,49-50H,4-16,19-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b18-17-/t28-,32-,33-,34+,38-/m1/s1 SMILES CCCCCCCCCCCCCC/C=C\CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]

Parent-child relations graph

Deprecated MNXref IDs graph