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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.
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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(2,6(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 (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
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
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
24 October 2012