(3-methylbenzyl)succinyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM9416 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C33H43N7O19P3S charge -5 mass 966.15747 reference metacycM:3-METHYLBENZYLSUCCINYL-COA InChIKey OQNWWRUKIDSNIG-ANHZDMDASA-I InChI InChI=1S/C33H48N7O19P3S/c1-18-5-4-6-19(11-18)12-20(13-23(42)43)32(47)63-10-9-35-22(41)7-8-36-30(46)27(45)33(2,3)15-56-62(53,54)59-61(51,52)55-14-21-26(58-60(48,49)50)25(44)31(57-21)40-17-39-24-28(34)37-16-38-29(24)40/h4-6,11,16-17,20-21,25-27,31,44-45H,7-10,12-15H2,1-3H3,(H,35,41)(H,36,46)(H,42,43)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/p-5/t20?,21-,25-,26-,27+,31-/m1/s1 SMILES Cc1cccc(CC(CC(=O)[O-])C(=O)SCCNC(=O)CCNC(=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-])c1

Parent-child relations graph

Deprecated MNXref IDs graph