CHEBI:87426 - ethyl octanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ethyl octanoate
ChEBI ID CHEBI:87426
Definition A fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:31574
Supplier Information
Download Molfile XML SDF
Formula C10H20O2
Net Charge 0
Average Mass 172.26460
Monoisotopic Mass 172.14633
InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
InChIKey YYZUSRORWSJGET-UHFFFAOYSA-N
SMILES CCCCCCCC(=O)OCC
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 ethyl octanoate (CHEBI:87426) has role metabolite (CHEBI:25212)
ethyl octanoate (CHEBI:87426) is a fatty acid ethyl ester (CHEBI:78206)
ethyl octanoate (CHEBI:87426) is a octanoate ester (CHEBI:87657)
IUPAC Name
ethyl octanoate
Synonyms Sources
caprylic acid ethyl ester ChemIDplus
ethyl caprylate ChemIDplus
ethyl n-octanoate ChemIDplus
Manual Xrefs Databases
C00035613 KNApSAcK
C12292 KEGG COMPOUND
HMDB0040195 HMDB
LMFA07010447 LIPID MAPS
View more database links
Registry Numbers Types Sources
106-32-1 CAS Registry Number NIST Chemistry WebBook
106-32-1 CAS Registry Number ChemIDplus
1754470 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20096565 PubMed citation Europe PMC
26213084 PubMed citation Europe PMC
Last Modified
28 August 2015