FComEx: 2-Methylhippuric acid (PC000950)

Record Information

Version

1.0

Creation date

2015-10-09 22:33:34 UTC

Update date

2017-01-19 02:36:42 UTC

FoodComEx ID

PC000950

FoodDB Record

FDB028406

Chemical Information

Name

2-Methylhippuric acid

Description

Methylhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycine. Methylhippuric acid is a metabolite of xylene which is an aromatic hydrocarbon widely used as a solvant. It's level can be measured in urine of workers exposed to xylene (PMID 8689499). [HMDB]

CAS Number

42013-20-7

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
2-Methylhippate	Generator
2-Methylhippic acid	Generator
2-Methylhippuric acid	hmdb
N-(2-methylbenzoyl)-Glycine	hmdb
N-(2-Methylbenzoyl)glycine	hmdb
N-(methylbenzoyl)-Glycine	hmdb
N-(Methylbenzoyl)glycine	hmdb
N-(o-Toluoyl)-glycine	hmdb
N-(o-Toluoyl)glycine	hmdb
o-Methylhippuric acid	hmdb
O-Tolate	Generator
O-Tolic acid	Generator
o-Toluric acid	hmdb

Chemical Formula

C10H11NO3

IUPAC name

2-[(2-methylphenyl)formamido]acetic acid

InChI Identifier

InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)

InChI Key

YOEBAVRJHRCKRE-UHFFFAOYSA-N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC(O)=O

Average Molecular Weight

193.1992

Monoisotopic Molecular Weight

193.073893223

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents