FComEx: 2-Methylbutanoic acid (PC000597)

Record Information

Version

1.0

Creation date

2015-10-09 22:31:27 UTC

Update date

2017-01-19 02:36:29 UTC

FoodComEx ID

PC000597

FoodDB Record

FDB008135

Chemical Information

Name

2-Methylbutanoic acid

Description

Ethylmethylacetic acid is a carboxylic acid found in low amounts in normal humans (PMID 3372640) It has been described in the urine of individuals with 2-ethylhydracrylic aciduria associated with short/branched-chain acyl-CoA dehydrogenase deficiency (due to ACADSB gene mutations, OMIM 600301) (PMID 15615815) [HMDB]

CAS Number

116-53-0

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(+/-)-2-methylbutyrate	HMDB
(+/-)-2-methylbutyric acid	HMDB
2-Ethylpropanoic acid	manual
2-Ethylpropionate	HMDB
2-Ethylpropionic acid	HMDB
2-Methybutyrate	Generator
2-Methybutyric acid	ChEBI
2-Methyl butyrate	HMDB
2-Methyl butyric acid	HMDB
2-Methyl-n-butyric acid	manual
2-Methylbutanoate	HMDB
2-Methylbutanoic acid	manual
2-Methylbutyrate	Generator
2-Methylbutyric acid	manual
a-Methyl butyrate	Generator
a-Methyl butyric acid	Generator
a-Methylbutyrate	Generator
a-Methylbutyric acid	Generator
Active valeric acid	manual
alpha-Methyl butyrate	Generator
alpha-Methyl butyric acid	ChEBI
alpha-Methyl-n-butyric acid	manual
alpha-Methylbutyrate	Generator
alpha-Methylbutyric acid	manual
Butane-2-carboxylate	Generator
Butane-2-carboxylic acid	db_source
Butyric acid, 2-methyl- (6CI,8CI)	manual
Butyric acid, alpha-methyl- (3CI)	manual
D-2-Methyl butyrate	HMDB
D-2-Methyl butyric acid	HMDB
DL-2-Methy butyrate	HMDB
DL-2-Methy butyric acid	HMDB
DL-2-Methylbutyrate	HMDB
Ethylmethylacetate	Generator
Ethylmethylacetic acid	db_source
FEMA 2695	db_source
Methylethylacetate	Generator
Methylethylacetic acid	manual
α-methyl butyrate	Generator
α-methyl butyric acid	Generator
α-methylbutyrate	Generator
α-methylbutyric acid	Generator

Chemical Formula

C5H10O2

IUPAC name

2-methylbutanoic acid

InChI Identifier

InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)

InChI Key

WLAMNBDJUVNPJU-UHFFFAOYSA-N

Isomeric SMILES

CCC(C)C(O)=O

Average Molecular Weight

102.1317

Monoisotopic Molecular Weight

102.068079564

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Methyl-branched fatty acids

Alternative Parents

Substituents