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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:87549 - hexyl propanoate
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ChEBI Name
hexyl propanoate
ChEBI ID
CHEBI:87549
Definition
A propanoate ester of hexan-1-ol.
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/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3
InChIKey
GOKKOFHHJFGZHW-UHFFFAOYSA-N
SMILES
CCCCCCOC(=O)CC
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
hexyl propanoate (
CHEBI:87549
)
has functional parent
hexan-1-ol (
CHEBI:87393
)
hexyl propanoate (
CHEBI:87549
)
has role
metabolite (
CHEBI:25212
)
hexyl propanoate (
CHEBI:87549
)
is a
fatty acid ester (
CHEBI:35748
)
hexyl propanoate (
CHEBI:87549
)
is a
propanoate ester (
CHEBI:36243
)
IUPAC Name
hexyl propanoate
Synonym
Source
hexyl propionate
ChEBI
Manual Xref
Database
HMDB0034606
HMDB
View more database links
Registry Numbers
Types
Sources
1752269
Reaxys Registry Number
Reaxys
2445-76-3
CAS Registry Number
ChemIDplus
2445-76-3
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
21892724
PubMed citation
Europe PMC
24414891
PubMed citation
Europe PMC
Last Modified
23 October 2015