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CHEBI:167506 - 2,3-dimethylsuccinic acid

ChEBI IDCHEBI:167506
ChEBI Name2,3-dimethylsuccinic acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is succinic acid substituted by two methyl groups at positions 2 and 3 respectively.
Last Modified9 May 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H10O4
Net Charge0
Average Mass146.142
Monoisotopic Mass146.05791
SMILESCC(C(=O)O)C(C)C(=O)O
InChIInChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKeyKLZYRCVPDWTZLH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
unidentified (ncbitaxon:32644) soil (ENVO:00001998) MetaboLights (MTBLS1196) Strain: silty clay loam soil
Roles Classification
Chemical Roles:
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2,3-dimethylsuccinic acid (CHEBI:167506) has functional parent succinic acid (CHEBI:15741)
2,3-dimethylsuccinic acid (CHEBI:167506) has role chelator (CHEBI:38161)
2,3-dimethylsuccinic acid (CHEBI:167506) is a α,ω-dicarboxylic acid (CHEBI:28383)
2,3-dimethylsuccinic acid (CHEBI:167506) is conjugate acid of 2,3-dimethylsuccinate(2−) (CHEBI:191384)
Incoming Relation(s)
2,3-dimethylsuccinate(2−) (CHEBI:191384) is conjugate base of 2,3-dimethylsuccinic acid (CHEBI:167506)
IUPAC Name 
2,3-dimethylbutanedioic acid
Synonyms  Source
α,β-dimethylsuccinic acidChEBI
α,β-dimethyl-succinic acidChEBI
Manual XrefsDatabases
11355ChemSpider
HMDB0245405HMDB
Registry NumbersSources
Reaxys:1723932Reaxys
CAS:13545-04-5ChemIDplus
CAS:13545-04-5NIST Chemistry WebBook
Citations