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> Main
CHEBI:86537 - 2,2-dimethylsuccinic acid
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ChEBI Name
2,2-dimethylsuccinic acid
ChEBI ID
CHEBI:86537
Definition
An α,ω-dicarboxylic acid that is succinic acid substituted by two methyl groups at positions 2 and 2 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C6H10O4
Net Charge
0
Average Mass
146.142
Monoisotopic Mass
146.05791
InChI
InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
InChIKey
GOHPTLYPQCTZSE-UHFFFAOYSA-N
SMILES
CC(C)(CC(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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,2-dimethylsuccinic acid (
CHEBI:86537
)
has functional parent
succinic acid (
CHEBI:15741
)
2,2-dimethylsuccinic acid (
CHEBI:86537
)
is a
α,ω-dicarboxylic acid (
CHEBI:28383
)
2,2-dimethylsuccinic acid (
CHEBI:86537
)
is conjugate acid of
2,2-dimethylsuccinate(2−) (
CHEBI:191383
)
Incoming
2,2-dimethylsuccinate(2−) (
CHEBI:191383
)
is conjugate base of
2,2-dimethylsuccinic acid (
CHEBI:86537
)
IUPAC Name
2,2-dimethylbutanedioic acid
Synonyms
Sources
α,α-dimethyl-succinic acid
HMDB
α,α-dimethylsuccinic acid
ChEBI
Manual Xrefs
Databases
FDB022833
FooDB
HMDB0002074
HMDB
LMFA01170080
LIPID MAPS
WOC
PDBeChem
View more database links
Registry Numbers
Types
Sources
1764476
Reaxys Registry Number
Reaxys
597-43-3
CAS Registry Number
NIST Chemistry WebBook
597-43-3
CAS Registry Number
ChemIDplus
Citations
Types
Sources
12397032
PubMed citation
Europe PMC
17164917
PubMed citation
Europe PMC
24601008
PubMed citation
Europe PMC
25111069
PubMed citation
Europe PMC
26356151
PubMed citation
Europe PMC
26856389
PubMed citation
Europe PMC
Last Modified
09 May 2022