CHEBI:87303 - ethyl isobutyrate

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ChEBI Name ethyl isobutyrate
ChEBI ID CHEBI:87303
Definition A fatty acid methyl ester obtained by the formal condensation of isobutyric acid with ethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H12O2
Net Charge 0
Average Mass 116.15830
Monoisotopic Mass 116.08373
InChI InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
InChIKey WDAXFOBOLVPGLV-UHFFFAOYSA-N
SMILES CCOC(=O)C(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing ethyl isobutyrate (CHEBI:87303) has functional parent isobutyric acid (CHEBI:16135)
ethyl isobutyrate (CHEBI:87303) has role metabolite (CHEBI:25212)
ethyl isobutyrate (CHEBI:87303) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name
ethyl 2-methylpropanoate
Synonyms Sources
ethyl 2,2-dimethylacetate ChemIDplus
isobutyric acid ethyl ester ChEBI
Manual Xref Database
HMDB0031248 HMDB
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Registry Numbers Types Sources
773846 Reaxys Registry Number Reaxys
97-62-1 CAS Registry Number NIST Chemistry WebBook
97-62-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
25976996 PubMed citation Europe PMC
Last Modified
02 September 2015