4-Methylbenzoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM726985 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C27H38N7O17P3S charge 0 mass 857.12577 reference sabiorkM:28653 InChIKey FHVMSNAIODWVLN-MJQNIGQHSA-N InChI InChI=1S/C27H38N7O17P3S/c1-14-4-6-15(7-5-14)26(39)55-33-17(35)8-9-29-24(38)21(37)27(2,3)11-48-54(45,46)51-53(43,44)47-10-16-20(50-52(40,41)42)19(36)25(49-16)34-13-32-18-22(28)30-12-31-23(18)34/h4-7,12-13,16,19-21,25,36-37H,8-11H2,1-3H3,(H,29,38)(H,33,35)(H,43,44)(H,45,46)(H2,28,30,31)(H2,40,41,42)/t16-,19-,20-,21+,25-/m1/s1 SMILES Cc1ccc(C(=O)SN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc1

Parent-child relations graph

Deprecated MNXref IDs graph