CHEBI:68459 - 2,2-dimethylglutaric acid

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ChEBI Name 2,2-dimethylglutaric acid
ChEBI ID CHEBI:68459
Definition An α,ω-dicarboxylic acid that is pentanedioic acid with two methyl groups substituted at position C-2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H12O4
Net Charge 0
Average Mass 160.16780
Monoisotopic Mass 160.07356
InChI InChI=1S/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey BTUDGPVTCYNYLK-UHFFFAOYSA-N
SMILES CC(C)(CCC(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Numbers Types Sources
1768501 Reaxys Registry Number Reaxys
681-57-2 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
24 October 2012