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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H22O2
Net Charge 0
Average Mass 186.29120
Monoisotopic Mass 186.162
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
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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 Waiting for Citations Type Source
24333641 PubMed citation Europe PMC
Last Modified
17 August 2015