3-Phenylpropanoyl-Coenzyme A (sodium salt)

3-Phenylpropanoyl-coenzyme A (3-phenylpropanoyl-CoA) is a derivative of CoA (Cay-16147, Cay-21499, Cay-21722) that contains the medium-chain and phenyl-substituted fatty acid 3-phenylpropanoic acid. It has been used as an enzymatic substrate in potential screening assays for medium-chain acyl-CoA dehydrogenase (MCAD) deficiency, an inborn error of fatty acid metabolism characterized by hypoketotic hypoglycemia, medium-chain dicarboxylic aciduria, and intolerance to fasting, in newborn-derived primary fibroblasts.Formal Name: S-benzenepropanoate coenzyme A, sodium salt. Synonyms: 3-Phenylpropanoyl-CoA, 3-Phenylpropionyl-CoA, 3-Phenylpropionyl-Coenzyme A. Molecular Formula: C30H44N7O17P3S . XNa. Formula Weight: 899.7. Purity: >90%. Formulation: (Request formulation change), A solid. Solubility: Water: Soluble. SMILES: O[C@H]([C@@H]1O[P](O)(O)=O)[C@@H](O[C@@H]1CO[P](O[P](OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(CCC2=CC=CC=C2)=O)=O)=O)(O)=O)(O)=O)N3C4=NC=NC(N)=C4N=C3.[Na]. InChi Code: InChI=1S/C30H44N7O17P3S.Na/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37,/h3-7,16-17,19,23-25,29,40-41H,8-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45),/t19-,23-,24-,25+,29-,/m1./s1. InChi Key: JQNRMSBLNRRFRZ-GXEYHGSNSA-N.