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CHEBI:68566 - 3-methylglutaric acid

ChEBI IDCHEBI:68566
ChEBI Name3-methylglutaric acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is glutaric acid substituted at position 3 by a methyl group.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC6H10O4
Net Charge0
Average Mass146.142
Monoisotopic Mass146.05791
SMILESCC(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyXJMMNTGIMDZPMU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-methylglutaric acid (CHEBI:68566) has functional parent glutaric acid (CHEBI:17859)
3-methylglutaric acid (CHEBI:68566) has role metabolite (CHEBI:25212)
3-methylglutaric acid (CHEBI:68566) is a α,ω-dicarboxylic acid (CHEBI:28383)
Incoming Relation(s)
O-3-methylglutarylcarnitine (CHEBI:70857) has functional parent 3-methylglutaric acid (CHEBI:68566)
IUPAC Name 
3-methylpentanedioic acid
Synonym  Source
β-methylglutaric acidHMDB
Manual XrefsDatabases
HMDB0000752HMDB
LMFA01170117LIPID MAPS
Registry NumbersSources
Reaxys:1759502Reaxys
CAS:626-51-7ChemIDplus
Citations