CHEBI:84262 - isopropyl palmitate

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ChEBI Name isopropyl palmitate
ChEBI ID CHEBI:84262
Definition A fatty acid ester obtained by the formal condensation of carboxy group of palmitic acid with propan-2-ol. Metabolite observed in cancer metabolism.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H38O2
Net Charge 0
Average Mass 298.50380
Monoisotopic Mass 298.287
InChI InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
InChIKey XUGNVMKQXJXZCD-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Metabolite observed in cancer metabolism. See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing isopropyl palmitate (CHEBI:84262) has functional parent hexadecanoic acid (CHEBI:15756)
isopropyl palmitate (CHEBI:84262) has role human metabolite (CHEBI:77746)
isopropyl palmitate (CHEBI:84262) is a fatty acid ester (CHEBI:35748)
isopropyl palmitate (CHEBI:84262) is a isopropyl ester (CHEBI:35725)
IUPAC Name
propan-2-yl hexadecanoate
Synonyms Sources
1-methylethyl hexadecanoate ChemIDplus
isopropyl hexadecanoate ChemIDplus
isopropyl n-hexadecanoate ChemIDplus
palmitic acid isopropyl ester ChEBI
Manual Xrefs Databases
D04632 KEGG DRUG
HMDB0035474 HMDB
Isopropyl_palmitate Wikipedia
LMFA07010675 LIPID MAPS
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Registry Numbers Types Sources
142-91-6 CAS Registry Number ChemIDplus
1786567 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25272650 PubMed citation Europe PMC
25518943 PubMed citation Europe PMC
Last Modified
09 March 2018