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CHEBI:171771 - 2-Propenyl hexanoate

ChEBI IDCHEBI:171771
ChEBI Name2-Propenyl hexanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O2
Net Charge0
Average Mass156.225
Monoisotopic Mass156.11503
SMILESC=CCOC(=O)CCCCC
InChIInChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
InChIKeyRCSBILYQLVXLJG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
2-Propenyl hexanoate (CHEBI:171771) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
prop-2-enyl hexanoate
Manual XrefsDatabases
29006ChemSpider
HMDB0040210HMDB
LMFA07010747LIPID MAPS
Registry NumbersSources
CAS:123-68-2ChemIDplus