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CHEBI:86618 - ethyl heptanoate

ChEBI IDCHEBI:86618
ChEBI Nameethyl heptanoate
Stars
DefinitionThe fatty acid ethyl ester of heptanoic acid.
Last Modified23 October 2015
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCCCCC(=O)OCC
InChIInChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
InChIKeyTVQGDYNRXLTQAP-UHFFFAOYSA-N
Wikipedia
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 heptanoate (CHEBI:86618) has functional parent heptanoic acid (CHEBI:45571)
ethyl heptanoate (CHEBI:86618) has role metabolite (CHEBI:25212)
ethyl heptanoate (CHEBI:86618) is a fatty acid ethyl ester (CHEBI:78206)
IUPAC Name 
ethyl heptanoate
Synonyms  Source
heptanoic acid ethyl esterChEBI
Grape oilChemIDplus
Ethyl enanthateChemIDplus
Wine oilNIST Chemistry WebBook
Enanthic acid ethyl esterNIST Chemistry WebBook
Oenanthic etherHMDB
Manual XrefsDatabases
HMDB0000798HMDB
Ethyl_heptanoateWikipedia
Registry NumbersSources
Reaxys:1752311Reaxys
CAS:106-30-9ChemIDplus
CAS:106-30-9NIST Chemistry WebBook
Citations