lesqueroloyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM148324 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C41H68N7O18P3S charge -4 mass 1071.35763 reference metacycM:CPD-15366 InChIKey JJYIVZKVZZSDMC-GXVFDTDKSA-J InChI InChI=1S/C41H72N7O18P3S/c1-4-5-6-15-18-29(49)19-16-13-11-9-7-8-10-12-14-17-20-32(51)70-24-23-43-31(50)21-22-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h13,16,27-30,34-36,40,49,52-53H,4-12,14-15,17-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b16-13-/t29-,30-,34-,35-,36+,40-/m1/s1 SMILES CCCCCC[C@@H](O)C/C=C\CCCCCCCCCC(=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