EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131410 - t-butyl hexadecanoate

ChEBI IDCHEBI:131410
ChEBI Namet-butyl hexadecanoate
Stars
DefinitionA hexadecanoate ester in which the carboxy hydrogen of hexadecanoic acid has been replaced by a tert-butyl group.
Last Modified9 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC20H40O2
Net Charge0
Average Mass312.538
Monoisotopic Mass312.30283
SMILESCCCCCCCCCCCCCCCC(=O)OC(C)(C)C
InChIInChI=1S/C20H40O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)22-20(2,3)4/h5-18H2,1-4H3
InChIKeyQESUPNPIYGFLCJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS298)
- PubMed (26839171)
ChEBI Ontology
Outgoing Relation(s)
t-butyl hexadecanoate (CHEBI:131410) is a tert-butyl ester (CHEBI:140402)
t-butyl hexadecanoate (CHEBI:131410) is a hexadecanoate ester (CHEBI:25835)
IUPAC Name 
tert-butyl hexadecanoate
Synonyms  Source
t-butyl palmitateChEBI
tert-butyl palmitateChEBI
palmitic acid tert-butyl esterChEBI
hexadecanoic acid tert-butyl esterChEBI
Manual XrefsDatabases
474139ChemSpider
Registry NumbersSources
Reaxys:1790068Reaxys