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.
Supplier Information
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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 Waiting for Citations Types Sources
21892724 PubMed citation Europe PMC
24414891 PubMed citation Europe PMC
Last Modified
23 October 2015