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CHEBI:38650 - 2,3-dimethylbutyric acid

ChEBI IDCHEBI:38650
ChEBI Name2,3-dimethylbutyric acid
Stars
DefinitionA branched C4 short-chain fatty acid carrying two methyl substituents at positions 2 and 3. The methyl group at the 2-position confers chirality, hence the compound has two possible enantiomers.
Last Modified18 March 2013
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCC(C)C(C)C(=O)O
InChIInChI=1S/C6H12O2/c1-4(2)5(3)6(7)8/h4-5H,1-3H3,(H,7,8)
InChIKeyXFOASZQZPWEJAA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2,3-dimethylbutyric acid (CHEBI:38650) is a dimethylbutyric acid (CHEBI:38648)
Incoming Relation(s)
kansuiphorin A (CHEBI:66138) has functional parent 2,3-dimethylbutyric acid (CHEBI:38650)
kansuiphorin B (CHEBI:66139) has functional parent 2,3-dimethylbutyric acid (CHEBI:38650)
(R)-2,3-dimethylbutyric acid (CHEBI:38651) is a 2,3-dimethylbutyric acid (CHEBI:38650)
(S)-2,3-dimethylbutyric acid (CHEBI:38652) is a 2,3-dimethylbutyric acid (CHEBI:38650)
IUPAC Name 
2,3-dimethylbutanoic acid
Synonyms  Source
2,3-dimethylbutyric acidChemIDplus
α,β-dimethylbutanoic acidChEBI
2,3-methylbutanoic acidNIST Chemistry WebBook
Registry NumbersSources
Beilstein:1098615Beilstein
CAS:14287-61-7NIST Chemistry WebBook
CAS:14287-61-7ChemIDplus