CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 885.7 g/mol |
|---|---|
| XLogP3 | -4 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 22 |
| Exact Mass | 885.15707506 g/mol |
| Monoisotopic Mass | 885.15707506 g/mol |
| Topological Polar Surface Area | 389 Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1530 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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, an Escherichia coli metabolite and a mouse metabolite. It is functionally related to a phenylacetic acid and an acetyl-CoA. It is a conjugate acid of a phenylacetyl-CoA(4-).