9,10-epoxy-18-hydroxystearoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM151618 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C39H64N7O19P3S charge -4 mass 1059.32125 reference metacycM:CPD-17630 InChIKey CVWDAEJIOIJLLG-DSQVJIAFSA-J InChI InChI=1S/C39H68N7O19P3S/c1-39(2,23-61-68(58,59)65-67(56,57)60-22-28-33(64-66(53,54)55)32(50)38(63-28)46-25-45-31-35(40)43-24-44-36(31)46)34(51)37(52)42-18-17-29(48)41-19-21-69-30(49)16-12-8-5-7-11-15-27-26(62-27)14-10-6-3-4-9-13-20-47/h24-28,32-34,38,47,50-51H,3-23H2,1-2H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/t26?,27?,28-,32-,33-,34+,38-/m1/s1 SMILES CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC1OC1CCCCCCCCO

Parent-child relations graph

Deprecated MNXref IDs graph