CHEBI:31571 - ethyl isovalerate

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ChEBI Name ethyl isovalerate
ChEBI ID CHEBI:31571
Definition The fatty acid ethyl ester of isovaleric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H14O2
Net Charge 0
Average Mass 130.185
Monoisotopic Mass 130.09938
InChI InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKey PPXUHEORWJQRHJ-UHFFFAOYSA-N
SMILES CCOC(CC(C)C)=O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ethyl isovalerate (CHEBI:31571) has functional parent isovaleric acid (CHEBI:28484)
ethyl isovalerate (CHEBI:31571) has role metabolite (CHEBI:25212)
ethyl isovalerate (CHEBI:31571) is a fatty acid ethyl ester (CHEBI:78206)
ethyl isovalerate (CHEBI:31571) is a olefinic compound (CHEBI:78840)
IUPAC Name
ethyl 3-methylbutanoate
Synonyms Sources
Ethyl 3-methylbutyrate ChemIDplus
Ethyl beta-methylbutyrate ChemIDplus
Ethyl isopentanoate ChemIDplus
Manual Xrefs Databases
C12290 KEGG COMPOUND
HMDB0030028 HMDB
View more database links
Registry Numbers Types Sources
108-64-5 CAS Registry Number KEGG COMPOUND
108-64-5 CAS Registry Number NIST Chemistry WebBook
108-64-5 CAS Registry Number ChemIDplus
1744677 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25641554 PubMed citation Europe PMC
25976996 PubMed citation Europe PMC
Last Modified
03 June 2021