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> Main
CHEBI:87422 - isoamyl butyrate
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ChEBI Ontology
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ChEBI Name
isoamyl butyrate
ChEBI ID
CHEBI:87422
Definition
The butanoate ester of isoamylol.
Stars
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/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
InChIKey
PQLMXFQTAMDXIZ-UHFFFAOYSA-N
SMILES
CCCC(=O)OCCC(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 butyrate (
CHEBI:87422
)
has functional parent
isoamylol (
CHEBI:15837
)
isoamyl butyrate (
CHEBI:87422
)
has role
metabolite (
CHEBI:25212
)
isoamyl butyrate (
CHEBI:87422
)
is a
butyrate ester (
CHEBI:50477
)
IUPAC Name
3-methylbutyl butanoate
Synonyms
Sources
butyric acid isopentyl ester
ChEBI
Isoamyl butanoate
ChemIDplus
Isopentyl butanoate
ChemIDplus
isopentyl butyrate
ChEBI
Manual Xref
Database
HMDB0040221
HMDB
View more database links
Registry Numbers
Types
Sources
106-27-4
CAS Registry Number
ChemIDplus
106-27-4
CAS Registry Number
NIST Chemistry WebBook
1702557
Reaxys Registry Number
Reaxys
Citations
Types
Sources
25236191
PubMed citation
Europe PMC
25935327
PubMed citation
Europe PMC
Last Modified
23 October 2015