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CHEBI:87501 - ethyl nonanoate

ChEBI IDCHEBI:87501
ChEBI Nameethyl nonanoate
Stars
DefinitionA fatty acid ethyl ester of nonanoic acid.
Last Modified17 August 2015
Submitternamrata
DownloadsMolfile
FormulaC11H22O2
Net Charge0
Average Mass186.295
Monoisotopic Mass186.16198
SMILESCCCCCCCCC(=O)OCC
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
InChIKeyBYEVBITUADOIGY-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 nonanoate (CHEBI:87501) has functional parent nonanoic acid (CHEBI:29019)
ethyl nonanoate (CHEBI:87501) has role metabolite (CHEBI:25212)
ethyl nonanoate (CHEBI:87501) is a fatty acid ethyl ester (CHEBI:78206)
IUPAC Name 
ethyl nonanoate
Synonyms  Source
pelargonic acid ethyl esterChEBI
nonanoic acid ethyl esterChEBI
ethyl pelargonateChEBI
Manual XrefsDatabases
HMDB0040193HMDB
LMFA07010878LIPID MAPS
Registry NumbersSources
Reaxys:1759169Reaxys
CAS:123-29-5ChemIDplus
CAS:123-29-5NIST Chemistry WebBook
Citations