CHEBI:68502 - 3,3-dimethylglutaric acid

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ChEBI Name 3,3-dimethylglutaric acid
ChEBI ID CHEBI:68502
Definition An α,ω-dicarboxylic acid that is glutaric acid substituted by two methyl groups at the C-3 position.
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(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey DUHQIGLHYXLKAE-UHFFFAOYSA-N
SMILES CC(C)(CC(O)=O)CC(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 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 Xref Database
HMDB0002441 HMDB
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Registry Numbers Types Sources
1765439 Reaxys Registry Number Reaxys
4839-46-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
26 October 2012