Phenylacetyl CoA, 95.70%

cas: 7532-39-0 — see every product listed under this CAS number, including other names

Phenylacetyl CoA, 95.70% (CAS 7532-39-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-135024-Get quote
cas7532-39-0
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properties

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purity95.70%
Structural formula: {0} (CAS {1})

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

Identity
Molecular formulaC29H42N7O17P3S
Molecular weight885.7 g/mol
IUPAC nameS-[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
InChIKeyZIGIFDRJFZYEEQ-CECATXLMSA-N
SMILESCC(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)

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