FComEx: 2-Phenylpropionate (PC000964)

Record Information

Version

1.0

Creation date

2015-10-09 22:33:38 UTC

Update date

2017-01-19 02:36:43 UTC

FoodComEx ID

PC000964

FoodDB Record

FDB028418

Chemical Information

Name

2-Phenylpropionate

Description

2-Phenylpropionate is an intermediate in alpha-Methylstyrene (2-phenylpropylene) metabolism. It was identified in human liver slices in small amounts. It is likely that 2-Phenylpropionate derives from 2-phenylpropionaldehyde, formed from a 1,2-hydride shift during the transfer of active oxygen to the vinyl group, as has been proposed for the cytochrome P450-mediated oxidation of styrene to form phenylacetaldehyde. (PMID: 11159807) [HMDB]

CAS Number

492-37-5

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(+-)-Hydratropasaeure	hmdb
(+-)-Hydratropate	Generator
(+-)-hydratropic acid	hmdb
2-Phenylpropanoate	hmdb
2-Phenylpropanoic acid	hmdb
2-Phenylpropionic acid	ChEBI
2-Phenylpropionic acid [MeSH: hydratropic acid]	hmdb
a-Methylbenzeneacetate	Generator
a-Methylbenzeneacetic acid	Generator
a-Methylphenylacetate	Generator
a-Methylphenylacetic acid	Generator
a-Phenylpropionate	Generator
a-Phenylpropionic acid	Generator
alpha-Methylbenzeneacetate	Generator
alpha-Methylbenzeneacetic acid	hmdb
alpha-Methylphenylacetate	Generator
alpha-Methylphenylacetic acid	hmdb
alpha-Phenylpropioate	hmdb
alpha-Phenylpropioic acid	hmdb
alpha-Phenylpropionate	Generator
alpha-Phenylpropionic acid	ChEBI
Hydratropasaeure	hmdb
Hydratropic acid	hmdb
Hydratropic acid [MeSH: hydratropic acid]	hmdb
Phenylpropionate	HMDB
α-methylbenzeneacetate	Generator
α-methylbenzeneacetic acid	Generator
α-methylphenylacetate	Generator
α-methylphenylacetic acid	Generator
α-phenylpropionate	Generator
α-phenylpropionic acid	Generator

Chemical Formula

C9H10O2

IUPAC name

2-phenylpropanoic acid

InChI Identifier

InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)

InChI Key

YPGCWEMNNLXISK-UHFFFAOYSA-N

Isomeric SMILES

CC(C(O)=O)C1=CC=CC=C1

Average Molecular Weight

150.1745

Monoisotopic Molecular Weight

150.068079564

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Sub Class

Not Available

Direct Parent

Phenylpropanoic acids

Alternative Parents