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CHEBI:84936 - ethyl octadecanoate

ChEBI IDCHEBI:84936
ChEBI Nameethyl octadecanoate
Stars
DefinitionAn octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of ethanol.
Last Modified17 April 2018
Submitternamrata
DownloadsMolfile
FormulaC20H40O2
Net Charge0
Average Mass312.538
Monoisotopic Mass312.30283
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC
InChIInChI=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
InChIKeyMVLVMROFTAUDAG-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Stearic acid ethyl esterHMDB
ethyl stearateChemIDplus
UniProt Name  Source
ethyl octadecanoateUniProt
Manual XrefsDatabases
HMDB0034156HMDB
Registry NumbersSources
Reaxys:1788183Reaxys
CAS:111-61-5ChemIDplus
CAS:111-61-5NIST Chemistry WebBook
Citations