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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:87501 - ethyl nonanoate
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ChEBI Name
ethyl nonanoate
ChEBI ID
CHEBI:87501
Definition
A fatty acid ethyl ester of nonanoic acid.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C11H22O2
Net Charge
0
Average Mass
186.29120
Monoisotopic Mass
186.16198
InChI
InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
InChIKey
BYEVBITUADOIGY-UHFFFAOYSA-N
SMILES
CCCCCCCCC(=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 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
Sources
ethyl pelargonate
ChEBI
nonanoic acid ethyl ester
ChEBI
pelargonic acid ethyl ester
ChEBI
Manual Xrefs
Databases
HMDB0040193
HMDB
LMFA07010878
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
123-29-5
CAS Registry Number
NIST Chemistry WebBook
123-29-5
CAS Registry Number
ChemIDplus
1759169
Reaxys Registry Number
Reaxys
Citation
Type
Source
24333641
PubMed citation
Europe PMC
Last Modified
17 August 2015