FComEx: 3-Methylglutaconic acid (PC000968)

Record Information

Version

1.0

Creation date

2015-10-09 22:33:39 UTC

Update date

2017-01-19 02:36:43 UTC

FoodComEx ID

PC000968

FoodDB Record

FDB022090

Chemical Information

Name

3-Methylglutaconic acid

Description

3-Methylglutaconic acid is an intermediate (as the CoA thioester) in the leucine degradative pathway as well as the mevalonate shunt, a pathway that links isoprenoid metabolism with mitochondrial acetyl-CoA metabolism. (PMID: 7603789) 3-methylglutaconyl-CoA hydratase is involved in the metabolism process of 3-methylglutaconic acid. 3-Methylglutaconic acid accumulates in patients with a deficiency of this enzyme and a large amount of 3-methylglutaconic acid appear in urine. [HMDB]

CAS Number

5746-90-7

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Synonym	Source
3-Methylglutaconate	hmdb
3-Methylglutaconic acid	hmdb
b-Methylglutaconate	hmdb
b-Methylglutaconic acid	hmdb
beta-Methylglutaconate	hmdb
beta-Methylglutaconic acid	hmdb

Chemical Formula

C6H8O4

IUPAC name

(2E)-3-methylpent-2-enedioic acid

InChI Identifier

InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+

InChI Key

WKRBKYFIJPGYQC-DUXPYHPUSA-N

Isomeric SMILES

C\C(CC(O)=O)=C/C(O)=O

Average Molecular Weight

144.1253

Monoisotopic Molecular Weight

144.042258744

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