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CHEBI:87537 - isoamyl isobutyrate
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ChEBI Name
isoamyl isobutyrate
ChEBI ID
CHEBI:87537
Definition
A fatty acid ester obtained by the formal condensation of isoamylol with isobutyric acid.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C9H18O2
Net Charge
0
Average Mass
158.23800
Monoisotopic Mass
158.13068
InChI
InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
VFTGLSWXJMRZNB-UHFFFAOYSA-N
SMILES
CC(C)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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isoamyl isobutyrate (
CHEBI:87537
)
has functional parent
isoamylol (
CHEBI:15837
)
isoamyl isobutyrate (
CHEBI:87537
)
has functional parent
isobutyric acid (
CHEBI:16135
)
isoamyl isobutyrate (
CHEBI:87537
)
has role
metabolite (
CHEBI:25212
)
isoamyl isobutyrate (
CHEBI:87537
)
is a
fatty acid ester (
CHEBI:35748
)
IUPAC Name
3-methylbutyl 2-methylpropanoate
Synonyms
Sources
isoamyl 2-methylpropanoate
ChemIDplus
isopentyl 2-methylpropanoate
ChemIDplus
isopentyl isobutyrate
ChemIDplus
Manual Xref
Database
HMDB0036234
HMDB
View more database links
Registry Numbers
Types
Sources
1752226
Reaxys Registry Number
Reaxys
2050-01-3
CAS Registry Number
NIST Chemistry WebBook
2050-01-3
CAS Registry Number
ChemIDplus
Citation
Type
Source
17633428
PubMed citation
Europe PMC
Last Modified
18 August 2015