9,10-epoxystearoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM151619 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C39H64N7O18P3S charge -4 mass 1043.32633 reference metacycM:CPD-17631 InChIKey SAXYUMUSZQUJMZ-DSQVJIAFSA-J InChI InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-9-12-15-26-27(61-26)16-13-10-8-11-14-17-30(48)68-21-20-41-29(47)18-19-42-37(51)34(50)39(2,3)23-60-67(57,58)64-66(55,56)59-22-28-33(63-65(52,53)54)32(49)38(62-28)46-25-45-31-35(40)43-24-44-36(31)46/h24-28,32-34,38,49-50H,4-23H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/t26?,27?,28-,32-,33-,34+,38-/m1/s1 SMILES CCCCCCCCC1OC1CCCCCCCC(=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