Phenylacetyl CoA

• CAT Number: R035054
• CAS Number: 7532-39-0
• Molecular Formula: C29H42N7O17P3S
• Molecular Weight: 885.668
• Purity: ≥95%
• Synonyms: Coenzyme A S-(Phenylacetate); Phenylthio-acetic Acid S-Ester With Coenzyme A; Phenylacetyl Coenzyme A; S-(Benzeneacetate) Coenzyme A
• Target: Endogenous Metabolite
• Storage: -20℃
• IUPAC Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-phenylethanethioate
• InChI: InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1
• InChIKey: ZIGIFDRJFZYEEQ-CECATXLMSA-N
• SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC4=CC=CC=C4)O

Phenylacetyl CoA is an intermediate compound in the catabolism of phenylalanine, an essential amino acid. It forms during the breakdown of phenylalanine in the liver and subsequently enters the Krebs cycle for energy production. This molecule plays a crucial role in amino acid metabolism, contributing to the synthesis of various compounds and serving as a link between phenylalanine catabolism and energy production pathways.