EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:87343 - 3-methylbutyl dodecanoate

Default Structure
ChEBI IDCHEBI:87343
ChEBI Name3-methylbutyl dodecanoate
Stars
DefinitionA fatty acid ester obtained by the formal condensation of dodecanoic acid with 3-methylbutan-1-ol.
Last Modified1 September 2015
Submitternamrata
DownloadsMolfile
FormulaC17H34O2
Net Charge0
Average Mass270.457
Monoisotopic Mass270.25588
SMILESCCCCCCCCCCCC(=O)OCCC(C)C
InChIInChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3
InChIKeyFVKRIDSRWFEQME-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-methylbutyl dodecanoate (CHEBI:87343) has functional parent isoamylol (CHEBI:15837)
3-methylbutyl dodecanoate (CHEBI:87343) has role metabolite (CHEBI:25212)
3-methylbutyl dodecanoate (CHEBI:87343) is a dodecanoate ester (CHEBI:87659)
IUPAC Name 
3-methylbutyl dodecanoate
Synonyms  Source
isoamyl laurateChEBI
isopentyl laurateChEBI
Registry NumbersSources
Reaxys:6858295Reaxys
Citations