CAS 7532-39-0 appears in our catalog under these names: Phenylacetyl CoA, >95% (HPLC), Phenylacetyl Coenzyme A, Phenylacetyl coa, Phenylacetyl CoA, 95.70%. Offered by: TRC, GLPBio, Biosynth, MedChemExpress. Available pack sizes: 10mg, 2,5mg, 25mg, 1mg, 5mg, 250mg, Get quote.
Phenylacetyl-CoA is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of phenylacetic acid. It has a role as a metabolite, a mouse metabolite and an Escherichia coli metabolite. It is functionally related to an acetyl-CoA and a phenylacetic acid. It is a conjugate acid of a phenylacetyl-CoA(4-).
Source: ChEBI
| Molecular formula | C29H42N7O17P3S |
|---|---|
| Molecular weight | 885.7 g/mol |
| 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 |
| InChIKey | ZIGIFDRJFZYEEQ-CECATXLMSA-N |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4=CC=CC=C4)O |
Computed by PubChem (NCBI)