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CHEBI:68459 - 2,2-dimethylglutaric acid

ChEBI IDCHEBI:68459
ChEBI Name2,2-dimethylglutaric acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is pentanedioic acid with two methyl groups substituted at position C-2.
Last Modified24 October 2012
Submittermwilliams
DownloadsMolfile
FormulaC7H12O4
Net Charge0
Average Mass160.169
Monoisotopic Mass160.07356
SMILESCC(C)(CCC(=O)O)C(=O)O
InChIInChI=1S/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyBTUDGPVTCYNYLK-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)
2,2-dimethylglutaric acid (CHEBI:68459) has role metabolite (CHEBI:25212)
2,2-dimethylglutaric acid (CHEBI:68459) is a α,ω-dicarboxylic acid (CHEBI:28383)
IUPAC Name 
2,2-dimethylpentanedioic acid
Registry NumbersSources
Reaxys:1768501Reaxys
CAS:681-57-2ChemIDplus
Citations