CHEBI:86618 - ethyl heptanoate

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ChEBI Name ethyl heptanoate
ChEBI ID CHEBI:86618
Definition The fatty acid ethyl ester of heptanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H18O2
Net Charge 0
Average Mass 158.23800
Monoisotopic Mass 158.131
InChI InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
InChIKey TVQGDYNRXLTQAP-UHFFFAOYSA-N
SMILES CCCCCCC(=O)OCC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Sources
Enanthic acid ethyl ester NIST Chemistry WebBook
Ethyl enanthate ChemIDplus
Grape oil ChemIDplus
heptanoic acid ethyl ester ChEBI
Oenanthic ether HMDB
Wine oil NIST Chemistry WebBook
Manual Xrefs Databases
Ethyl_heptanoate Wikipedia
HMDB0000798 HMDB
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Registry Numbers Types Sources
106-30-9 CAS Registry Number ChemIDplus
106-30-9 CAS Registry Number NIST Chemistry WebBook
1752311 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25842306 PubMed citation Europe PMC
Last Modified
23 October 2015