CHEBI:37070 - 2-methylbutyric acid

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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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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) 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 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 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 10 September 2020