EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180204 - (E)-2-Hexenyl butyrate

ChEBI IDCHEBI:180204
ChEBI Name(E)-2-Hexenyl butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18O2
Net Charge0
Average Mass170.252
Monoisotopic Mass170.13068
SMILESCCC/C=C/COC(=O)CCC
InChIInChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChIKeyPCGACKLJNBBQGM-VOTSOKGWSA-N
ChEBI Ontology
Outgoing Relation(s)
(E)-2-Hexenyl butyrate (CHEBI:180204) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(E)-hex-2-enyl] butanoate
Manual XrefsDatabases
4509341ChemSpider
HMDB0034581HMDB
LMFA07010585LIPID MAPS
Registry NumbersSources
CAS:53398-83-7ChemIDplus