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CHEBI:87338 - ethyl 9-decenoate

Default Structure
ChEBI IDCHEBI:87338
ChEBI Nameethyl 9-decenoate
Stars
DefinitionThe fatty acid ethyl ester of dec-9-enoic acid.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC12H22O2
Net Charge0
Average Mass198.306
Monoisotopic Mass198.16198
SMILESC=CCCCCCCCC(=O)OCC
InChIInChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3H,1,4-11H2,2H3
InChIKeyBKOJTZORTHALGP-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 9-decenoate (CHEBI:87338) has functional parent dec-9-enoic acid (CHEBI:32381)
ethyl 9-decenoate (CHEBI:87338) has role metabolite (CHEBI:25212)
ethyl 9-decenoate (CHEBI:87338) is a fatty acid ethyl ester (CHEBI:78206)
IUPAC Name 
ethyl dec-9-enoate
Registry NumbersSources
Reaxys:1906615Reaxys
CAS:67233-91-4ChemIDplus
Citations