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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:84936 - ethyl octadecanoate
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ChEBI Name
ethyl octadecanoate
ChEBI ID
CHEBI:84936
Definition
An octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of ethanol.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C20H40O2
Net Charge
0
Average Mass
312.53040
Monoisotopic Mass
312.30283
InChI
InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
InChIKey
MVLVMROFTAUDAG-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ethyl octadecanoate (
CHEBI:84936
)
has role
plant metabolite (
CHEBI:76924
)
ethyl octadecanoate (
CHEBI:84936
)
is a
long-chain fatty acid ethyl ester (
CHEBI:13209
)
ethyl octadecanoate (
CHEBI:84936
)
is a
octadecanoate ester (
CHEBI:75925
)
IUPAC Name
ethyl octadecanoate
Synonyms
Sources
ethyl octadecanoate
UniProt
ethyl stearate
ChemIDplus
Stearic acid ethyl ester
HMDB
Manual Xref
Database
HMDB0034156
HMDB
View more database links
Registry Numbers
Types
Sources
111-61-5
CAS Registry Number
ChemIDplus
111-61-5
CAS Registry Number
NIST Chemistry WebBook
1788183
Reaxys Registry Number
Reaxys
Citations
Types
Sources
23922460
PubMed citation
Europe PMC
24794020
PubMed citation
Europe PMC
Last Modified
17 April 2018