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InChI=1S/CH4O/c1-2/h2H,1H3
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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.
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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
Types
Sources
25641554
PubMed citation
Europe PMC
25976996
PubMed citation
Europe PMC
Last Modified
03 June 2021