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CHEBI:87419 - isoamyl propanoate
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ChEBI Ontology
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ChEBI Name
isoamyl propanoate
ChEBI ID
CHEBI:87419
Definition
A propanoate ester of isoamylol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H16O2
Net Charge
0
Average Mass
144.21140
Monoisotopic Mass
144.11503
InChI
InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKey
XAOGXQMKWQFZEM-UHFFFAOYSA-N
SMILES
CCC(=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 propanoate (
CHEBI:87419
)
has functional parent
isoamylol (
CHEBI:15837
)
isoamyl propanoate (
CHEBI:87419
)
has role
metabolite (
CHEBI:25212
)
isoamyl propanoate (
CHEBI:87419
)
is a
propanoate ester (
CHEBI:36243
)
IUPAC Name
3-methylbutyl propanoate
Synonyms
Sources
3-methylbutyl propionate
ChEBI
isopentyl propanoate
ChemIDplus
isopentyl propionate
ChEBI
Manual Xref
Database
HMDB0034164
HMDB
View more database links
Registry Numbers
Types
Sources
105-68-0
CAS Registry Number
NIST Chemistry WebBook
105-68-0
CAS Registry Number
ChemIDplus
1747359
Reaxys Registry Number
Reaxys
Last Modified
23 October 2015