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> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted 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
View more database links
Registry Numbers
Types
Sources
1765439
Reaxys Registry Number
Reaxys
4839-46-7
CAS Registry Number
ChemIDplus
Citation
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
26 October 2012