3-oxo-lesqueroloyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM147800 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C41H66N7O19P3S charge -4 mass 1085.3369 reference metacycM:CPD-15368 InChIKey NQXRRZBOZBKGIU-MHAUFEDZSA-J InChI InChI=1S/C41H70N7O19P3S/c1-4-5-6-13-16-28(49)17-14-11-9-7-8-10-12-15-18-29(50)23-32(52)71-22-21-43-31(51)19-20-44-39(55)36(54)41(2,3)25-64-70(61,62)67-69(59,60)63-24-30-35(66-68(56,57)58)34(53)40(65-30)48-27-47-33-37(42)45-26-46-38(33)48/h11,14,26-28,30,34-36,40,49,53-54H,4-10,12-13,15-25H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-4/b14-11-/t28-,30-,34-,35-,36+,40-/m1/s1 SMILES CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)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