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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:87426 - ethyl octanoate
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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
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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
Types
Sources
20096565
PubMed citation
Europe PMC
26213084
PubMed citation
Europe PMC
Last Modified
28 August 2015