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CHEBI:37070 - 2-methylbutyric acid

Default Structure
ChEBI IDCHEBI:37070
ChEBI Name2-methylbutyric acid
Stars
DefinitionA methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria.
Last Modified10 September 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC5H10O2
Net Charge0
Average Mass102.133
Monoisotopic Mass102.06808
SMILESCCC(C)C(=O)O
InChIInChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyWLAMNBDJUVNPJU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-methylbutyric acid (CHEBI:37070) has role bacterial metabolite (CHEBI:76969)
2-methylbutyric acid (CHEBI:37070) has role human metabolite (CHEBI:77746)
2-methylbutyric acid (CHEBI:37070) is a methylbutyric acid (CHEBI:38653)
2-methylbutyric acid (CHEBI:37070) is conjugate acid of 2-methylbutyrate (CHEBI:48946)
Incoming Relation(s)
N-(2-methylbutanoyl)glycine (CHEBI:86366) has functional parent 2-methylbutyric acid (CHEBI:37070)
1S,6R-di(2-)methylbutanoyloxy-4S-hydroxy-8S-benzoyloxy-9R-(3-)furancarbonyloxy-13-acetyloxy-β-dihydroagarofuran (CHEBI:65878) has functional parent 2-methylbutyric acid (CHEBI:37070)
2-hydroxy-2-methylbutyric acid (CHEBI:68454) has functional parent 2-methylbutyric acid (CHEBI:37070)
2-methylbutanoyl-CoA (CHEBI:15477) has functional parent 2-methylbutyric acid (CHEBI:37070)
2-methylbutyrylcarnitine (CHEBI:73026) has functional parent 2-methylbutyric acid (CHEBI:37070)
ethyl 2-methylbutyrate (CHEBI:88452) has functional parent 2-methylbutyric acid (CHEBI:37070)
trichanolide (CHEBI:68370) has functional parent 2-methylbutyric acid (CHEBI:37070)
(R)-2-methylbutyric acid (CHEBI:45525) is a 2-methylbutyric acid (CHEBI:37070)
(S)-2-methylbutyric acid (CHEBI:38655) is a 2-methylbutyric acid (CHEBI:37070)
2-methylbutyrate (CHEBI:48946) is conjugate base of 2-methylbutyric acid (CHEBI:37070)
IUPAC Name 
2-methylbutanoic acid
Synonyms  Source
2-methybutyric acidChemIDplus
2-methylbutyric acidNIST Chemistry WebBook
2-Methylbutyric acidKEGG COMPOUND
butane-2-carboxylic acidChEBI
ethylmethylacetic acidChemIDplus
methylethylacetic acidChemIDplus
Manual XrefsDatabases
C18319KEGG COMPOUND
DB03741DrugBank
HMDB0002176HMDB
LMFA01020072LIPID MAPS
Registry NumbersSources
Reaxys:1098537Reaxys
CAS:116-53-0ChemIDplus
CAS:116-53-0NIST Chemistry WebBook
CAS:116-53-0KEGG COMPOUND
Citations