EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:171830 - Hexyl 2-methyl-3-pentenoate

ChEBI IDCHEBI:171830
ChEBI NameHexyl 2-methyl-3-pentenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O2
Net Charge0
Average Mass198.306
Monoisotopic Mass198.16198
SMILESC/C=C/C(C)C(=O)OCCCCCC
InChIInChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h5,9,11H,4,6-8,10H2,1-3H3/b9-5+
InChIKeyBSKRYZBCMPUFRS-WEVVVXLNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Hexyl 2-methyl-3-pentenoate (CHEBI:171830) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
hexyl (E)-2-methylpent-3-enoate
Manual XrefsDatabases
4896705ChemSpider
Registry NumbersSources
CAS:58625-95-9ChemIDplus