C27-mycolipenyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM167357 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C48H82N7O17P3S charge -4 mass 1153.47227 reference metacycM:CPD-18564 InChIKey WZHGNXKRUDLHOX-DUPGOJFYSA-J InChI InChI=1S/C48H86N7O17P3S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(2)28-35(3)29-36(4)47(60)76-27-26-50-38(56)24-25-51-45(59)42(58)48(5,6)31-69-75(66,67)72-74(64,65)68-30-37-41(71-73(61,62)63)40(57)46(70-37)55-33-54-39-43(49)52-32-53-44(39)55/h29,32-35,37,40-42,46,57-58H,7-28,30-31H2,1-6H3,(H,50,56)(H,51,59)(H,64,65)(H,66,67)(H2,49,52,53)(H2,61,62,63)/p-4/b36-29+/t34-,35-,37+,40+,41+,42-,46+/m0/s1 SMILES CCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)/C=C(\C)C(=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