6-methyloctanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM148678 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C30H48N7O17P3S charge -4 mass 903.20622 reference metacycM:CPD-16447 InChIKey ZFZDPPFWLRZAIM-NVQRUNIKSA-J InChI InChI=1S/C30H52N7O17P3S/c1-5-18(2)8-6-7-9-21(39)58-13-12-32-20(38)10-11-33-28(42)25(41)30(3,4)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h16-19,23-25,29,40-41H,5-15H2,1-4H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t18?,19-,23-,24-,25+,29-/m1/s1 SMILES CCC(C)CCCCC(=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