CHEBI:37070 - 2-methylbutyric acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-methylbutyric acid
ChEBI ID CHEBI:37070
Definition A methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C5H10O2
Net Charge 0
Average Mass 102.13170
Monoisotopic Mass 102.06808
InChI InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey WLAMNBDJUVNPJU-UHFFFAOYSA-N
SMILES CCC(C)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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)
N-(2-methylbutanoyl)glycine (CHEBI:86366) 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 Sources
2-methybutyric acid ChemIDplus
2-methylbutyric acid NIST Chemistry WebBook
2-Methylbutyric acid KEGG COMPOUND
α-methyl butyric acid LIPID MAPS
α-methylbutyric acid NIST Chemistry WebBook
butane-2-carboxylic acid ChEBI
ethylmethylacetic acid ChemIDplus
methylethylacetic acid ChemIDplus
Manual Xrefs Databases
C18319 KEGG COMPOUND
DB03741 DrugBank
HMDB0002176 HMDB
LMFA01020072 LIPID MAPS
View more database links
Registry Numbers Types Sources
1098537 Beilstein Registry Number Beilstein
1098537 Reaxys Registry Number Reaxys
116-53-0 CAS Registry Number ChemIDplus
116-53-0 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
15615815 PubMed citation Europe PMC
16751541 PubMed citation Europe PMC
18828792 PubMed citation Europe PMC
22202876 PubMed citation Europe PMC
3372640 PubMed citation Europe PMC
Last Modified
23 October 2015