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CHEBI:68502 - 3,3-dimethylglutaric acid

ChEBI IDCHEBI:68502
ChEBI Name3,3-dimethylglutaric acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is glutaric acid substituted by two methyl groups at the C-3 position.
Last Modified26 October 2012
Submittermwilliams
DownloadsMolfile
FormulaC7H12O4
Net Charge0
Average Mass160.169
Monoisotopic Mass160.07356
SMILESCC(C)(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyDUHQIGLHYXLKAE-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)
3,3-dimethylglutaric acid (CHEBI:68502) has functional parent glutaric acid (CHEBI:17859)
3,3-dimethylglutaric acid (CHEBI:68502) has role metabolite (CHEBI:25212)
3,3-dimethylglutaric acid (CHEBI:68502) is a α,ω-dicarboxylic acid (CHEBI:28383)
IUPAC Name 
3,3-dimethylpentanedioic acid
Manual XrefsDatabases
HMDB0002441HMDB
Registry NumbersSources
Reaxys:1765439Reaxys
CAS:4839-46-7ChemIDplus
Citations