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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.
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This entity has been manually annotated by the ChEBI Team.
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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
Types
Sources
17439666
PubMed citation
Europe PMC
18661154
PubMed citation
Europe PMC
18795330
PubMed citation
Europe PMC
Last Modified
17 April 2018