EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:82946 - n-butyl oleate

ChEBI IDCHEBI:82946
ChEBI Namen-butyl oleate
Stars
ASCII Namen-butyl oleate
DefinitionA fatty acid ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of oleic acid.
Last Modified16 September 2014
Submitternamrata
DownloadsMolfile
FormulaC22H42O2
Net Charge0
Average Mass338.576
Monoisotopic Mass338.31848
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCCCC
InChIInChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-
InChIKeyWIBFFTLQMKKBLZ-SEYXRHQNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21886157)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
n-butyl oleate (CHEBI:82946) has functional parent butan-1-ol (CHEBI:28885)
n-butyl oleate (CHEBI:82946) has functional parent oleic acid (CHEBI:16196)
n-butyl oleate (CHEBI:82946) has role human metabolite (CHEBI:77746)
n-butyl oleate (CHEBI:82946) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
butyl (9Z)-octadec-9-enoate
Synonyms  Source
butyl oleateChemIDplus
1-butyl oleateChemIDplus
butyl 9-octadecenoateChemIDplus
Oleic acid, butyl esterNIST Chemistry WebBook
Registry NumbersSources
Reaxys:1728057Reaxys
CAS:142-77-8ChemIDplus
CAS:142-77-8NIST Chemistry WebBook
Citations