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CHEBI:87426 - ethyl octanoate

ChEBI IDCHEBI:87426
ChEBI Nameethyl octanoate
Stars
DefinitionA fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol.
Secondary ChEBI IDCHEBI:31574
Last Modified28 August 2015
Submitternamrata
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESCCCCCCCC(=O)OCC
InChIInChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
InChIKeyYYZUSRORWSJGET-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
caprylic acid ethyl esterChemIDplus
ethyl n-octanoateChemIDplus
ethyl caprylateChemIDplus
Manual XrefsDatabases
C12292KEGG COMPOUND
HMDB0040195HMDB
LMFA07010447LIPID MAPS
C00035613KNApSAcK
Registry NumbersSources
Reaxys:1754470Reaxys
CAS:106-32-1ChemIDplus
CAS:106-32-1NIST Chemistry WebBook
Citations