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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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 Waiting for Citations Types Sources
23922460 PubMed citation Europe PMC
24794020 PubMed citation Europe PMC
Last Modified
17 April 2018