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CHEBI:84262 - isopropyl palmitate

ChEBI IDCHEBI:84262
ChEBI Nameisopropyl palmitate
Stars
DefinitionA fatty acid ester obtained by the formal condensation of carboxy group of palmitic acid with propan-2-ol. Metabolite observed in cancer metabolism.
Last Modified9 March 2018
Submitternamrata
DownloadsMolfile
FormulaC19H38O2
Net Charge0
Average Mass298.511
Monoisotopic Mass298.28718
SMILESCCCCCCCCCCCCCCCC(=O)OC(C)C
InChIInChI=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
InChIKeyXUGNVMKQXJXZCD-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25518943) Metabolite observed in cancer metabolism.
- MetaboLights (MTBLS150)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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  Source
isopropyl n-hexadecanoateChemIDplus
1-methylethyl hexadecanoateChemIDplus
palmitic acid isopropyl esterChEBI
isopropyl hexadecanoateChemIDplus
Manual XrefsDatabases
D04632KEGG DRUG
LMFA07010675LIPID MAPS
HMDB0035474HMDB
Isopropyl_palmitateWikipedia
Registry NumbersSources
Reaxys:1786567Reaxys
CAS:142-91-6ChemIDplus
Citations