EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:87325 - ethyl 2-octenoate

ChEBI IDCHEBI:87325
ChEBI Nameethyl 2-octenoate
Stars
DefinitionThe fatty acid ethyl ester of 2-octenoic acid.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC10H18O2
Net Charge0
Average Mass170.252
Monoisotopic Mass170.13068
SMILES[H]C(=CCCCCC)C(=O)OCC
InChIInChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3
InChIKeyAISZSTYLOVXFII-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)
ethyl 2-octenoate (CHEBI:87325) has role metabolite (CHEBI:25212)
ethyl 2-octenoate (CHEBI:87325) is a fatty acid ethyl ester (CHEBI:78206)
IUPAC Name 
ethyl oct-2-enoate
Registry NumbersSources
Reaxys:1754134Reaxys
CAS:2351-90-8ChemIDplus