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CHEBI:68567 - 2-methylglutaric acid

ChEBI IDCHEBI:68567
ChEBI Name2-methylglutaric acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is glutaric acid substituted at position 2 by a methyl group.
Last Modified24 February 2022
Submittermwilliams
DownloadsMolfile
FormulaC6H10O4
Net Charge0
Average Mass146.142
Monoisotopic Mass146.05791
SMILESCC(CCC(=O)O)C(=O)O
InChIInChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyAQYCMVICBNBXNA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa domesticus (ncbitaxon:9825)
- MetaboLights (MTBLS123)
- DOI (10.1007/s11306-012-0441-5)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
2-methylglutaric acid (CHEBI:68567) has functional parent glutaric acid (CHEBI:17859)
2-methylglutaric acid (CHEBI:68567) has role mammalian metabolite (CHEBI:75768)
2-methylglutaric acid (CHEBI:68567) is a dicarboxylic fatty acid (CHEBI:189840)
2-methylglutaric acid (CHEBI:68567) is a α,ω-dicarboxylic acid (CHEBI:28383)
2-methylglutaric acid (CHEBI:68567) is conjugate acid of 2-methylglutarate(2−) (CHEBI:84980)
Incoming Relation(s)
2-methylglutarate(2−) (CHEBI:84980) is conjugate base of 2-methylglutaric acid (CHEBI:68567)
IUPAC Name 
2-methylpentanedioic acid
Synonym  Source
α-methylglutaric acidHMDB
Manual XrefsDatabases
HMDB0000422HMDB
LMFA01170084LIPID MAPS
Registry NumbersSources
Reaxys:1723219Reaxys
CAS:18069-17-5ChemIDplus
Citations