(9R,10S)-dihydroxystearoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM149522 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C39H66N7O19P3S charge -4 mass 1061.3369 reference metacycM:CPD-17629 InChIKey BYAKZEMVZLSFMS-OQQBBSOTSA-J InChI InChI=1S/C39H70N7O19P3S/c1-4-5-6-7-9-12-15-26(47)27(48)16-13-10-8-11-14-17-30(50)69-21-20-41-29(49)18-19-42-37(53)34(52)39(2,3)23-62-68(59,60)65-67(57,58)61-22-28-33(64-66(54,55)56)32(51)38(63-28)46-25-45-31-35(40)43-24-44-36(31)46/h24-28,32-34,38,47-48,51-52H,4-23H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/p-4/t26-,27+,28+,32+,33+,34-,38+/m0/s1 SMILES CCCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=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