CHEBI:87303 - ethyl isobutyrate

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ChEBI Name ethyl isobutyrate
ChEBI ID CHEBI:87303
Definition A fatty acid ethyl 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): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing ethyl isobutyrate (CHEBI:87303) has functional parent isobutyric acid (CHEBI:16135)
ethyl isobutyrate (CHEBI:87303) has role plant metabolite (CHEBI:76924)
ethyl isobutyrate (CHEBI:87303) is a fatty acid ethyl ester (CHEBI:78206)
IUPAC Name
ethyl 2-methylpropanoate
Synonyms Sources
2-methylpropanoic acid ethyl ester ChEBI
2-methylpropionic acid ethyl ester ChEBI
ethyl 2,2-dimethylacetate ChemIDplus
ethyl 2-methyl-1-propanoate ChEBI
ethyl 2-methylpropionate ChEBI
ethyl isobutanoate ChEBI
isobutyric acid ethyl ester ChEBI
Manual Xrefs Databases
C00053169 KNApSAcK
FDB003278 FooDB
HMDB0031248 HMDB
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Registry Numbers Types Sources
773846 Reaxys Registry Number Reaxys
97-62-1 CAS Registry Number ChemIDplus
97-62-1 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
25976996 PubMed citation Europe PMC
30194996 PubMed citation Europe PMC
32207979 PubMed citation Europe PMC
36690293 PubMed citation Europe PMC
37509874 PubMed citation Europe PMC
37750814 PubMed citation Europe PMC
37872711 PubMed citation Europe PMC
Last Modified
30 October 2023