CHEBI:64761 - propyl octadecanoate

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ChEBI Name propyl octadecanoate
ChEBI ID CHEBI:64761
Definition An octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of propanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H42O2
Net Charge 0
Average Mass 326.55700
Monoisotopic Mass 326.31848
InChI InChI=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
InChIKey BTAXGNQLYFDKEF-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)OCCC
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 propyl octadecanoate (CHEBI:64761) has role metabolite (CHEBI:25212)
propyl octadecanoate (CHEBI:64761) is a octadecanoate ester (CHEBI:75925)
IUPAC Name
propyl octadecanoate
Synonyms Sources
Octadecanoic acid, propyl ester ChemIDplus
propyl stearate ChemIDplus
stearic acid propyl ester ChEBI
Registry Numbers Types Sources
1791376 Reaxys Registry Number Reaxys
3634-92-2 CAS Registry Number ChemIDplus
3634-92-2 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
17439666 PubMed citation Europe PMC
18661154 PubMed citation Europe PMC
18795330 PubMed citation Europe PMC
Last Modified
17 April 2018