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InChI=1S/CH4O/c1-2/h2H,1H3
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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.
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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
158.13068
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.
View more via ChEBI Ontology
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
View more database links
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
Type
Source
25842306
PubMed citation
Europe PMC
Last Modified
23 October 2015