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CHEBI:64761 - propyl octadecanoate

ChEBI IDCHEBI:64761
ChEBI Namepropyl octadecanoate
Stars
DefinitionAn octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of propanol.
Last Modified17 April 2018
SubmitterSteve
DownloadsMolfile
FormulaC21H42O2
Net Charge0
Average Mass326.565
Monoisotopic Mass326.31848
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCC
InChIInChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h3-20H2,1-2H3
InChIKeyBTAXGNQLYFDKEF-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)
propyl octadecanoate (CHEBI:64761) has role metabolite (CHEBI:25212)
propyl octadecanoate (CHEBI:64761) is a octadecanoate ester (CHEBI:75925)
IUPAC Name 
propyl octadecanoate
Synonyms  Source
Octadecanoic acid, propyl esterChemIDplus
stearic acid propyl esterChEBI
propyl stearateChemIDplus
Registry NumbersSources
Reaxys:1791376Reaxys
CAS:3634-92-2ChemIDplus
CAS:3634-92-2NIST Chemistry WebBook
Citations