(2R)-ibuprofenoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1106946 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1 formula C34H48N7O17P3S charge -4 mass 951.20622 reference chebi:146203 InChIKey ZWOQHSZKILPKKA-NGSKWOHTSA-J InChI InChI=1S/C34H52N7O17P3S/c1-19(2)14-21-6-8-22(9-7-21)20(3)33(46)62-13-12-36-24(42)10-11-37-31(45)28(44)34(4,5)16-55-61(52,53)58-60(50,51)54-15-23-27(57-59(47,48)49)26(43)32(56-23)41-18-40-25-29(35)38-17-39-30(25)41/h6-9,17-20,23,26-28,32,43-44H,10-16H2,1-5H3,(H,36,42)(H,37,45)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/p-4/t20-,23-,26-,27-,28+,32-/m1/s1 SMILES CC(C)Cc1ccc([C@@H](C)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-])cc1

Parent-child relations graph

Deprecated MNXref IDs graph