(+)-S-Ibuprofenoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1106945 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C34H52N7O17P3S charge 0 mass 955.23532 reference sabiorkM:26174 InChIKey ZWOQHSZKILPKKA-FGJNQYEQSA-N 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)/t20-,23+,26+,27+,28?,32+/m0/s1 SMILES CC(C)Cc1ccc([C@H](C)C(=O)SCCN=C(O)CCN=C(O)C(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