4-bromobenzoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM37359 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C28H35BrN7O17P3S charge -4 mass 945.02283 reference metacycM:CPD-11218 InChIKey ZOGDCJZPJVBGQV-TYHXJLICSA-J InChI InChI=1S/C28H39BrN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-3-5-16(29)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t17-,20-,21-,22+,26-/m1/s1 SMILES CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Br)cc1

Parent-child relations graph

Deprecated MNXref IDs graph