Benzoyl-Coenzyme A (sodium salt)

Benzoyl-coenzyme A (benzoyl-CoA) is an intermediate in the microbial metabolism of aromatic compounds. It can be produced via anaerobic metabolism of benzoate, toluene, and phenylalanine, among others, in the environment as well as the gut microbiome. In proteobacteria, conversion of benzoate to benzoyl-CoA by a benzoate-CoA ligase can occur under both aerobic and anaerobic conditions. Benzoyl-CoA is also a precursor in the biosynthesis of the antibiotic enterocin (Cay-20592) in Salinospora. Benzoyl-CoA has been used as a substrate to measure the enzyme kinetics of human recombinant glycine N-acyltransferase (GLYAT), which catalyzes the formation of hippuric acid from benzoyl-CoA and glycine.Formal Name: S-benzoate coenzyme A, sodium salt. Synonyms: Benzoyl-CoA. Molecular Formula: C28H40N7O17P3S . XNa. Formula Weight: 871.6. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: Water: 50 mg/ml. lambdamax: 261 nm. SMILES: O[C@H]1[C@H](N2C=NC3=C2N=CN=C3N)O[C@H](COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(C4=CC=CC=C4)=O)=O)=O)(O)=O)(O)=O)[C@H]1OP(O)(O)=O.[Na]. InChi Code: InChI=1S/C28H40N7O17P3S.Na/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35,/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43),/t17-,20-,21-,22+,26-,/m1./s1. InChi Key: XIPUXHYWTIVYBZ-MEFCJLEQSA-N.