CHEBI:44499 - methyl nonanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl nonanoate
ChEBI ID CHEBI:44499
Definition A fatty acid methyl ester obtained from the formal condensation of methanol and nonanoic acid; a colourless liquid with a fruity odour, used in perfumes and flavours, and for medical research.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C10H20O2
Net Charge 0
Average Mass 172.26460
Monoisotopic Mass 172.14633
InChI InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChIKey IJXHLVMUNBOGRR-UHFFFAOYSA-N
SMILES CCCCCCCCC(=O)OC
Roles Classification
Biological Role(s): epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
antinematodal drug
A substance used in the treatment or control of nematode infestations.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methyl nonanoate (CHEBI:44499) has functional parent methanol (CHEBI:17790)
methyl nonanoate (CHEBI:44499) has functional parent nonanoic acid (CHEBI:29019)
methyl nonanoate (CHEBI:44499) has role antifungal agent (CHEBI:35718)
methyl nonanoate (CHEBI:44499) has role antinematodal drug (CHEBI:35444)
methyl nonanoate (CHEBI:44499) has role epitope (CHEBI:53000)
methyl nonanoate (CHEBI:44499) has role fragrance (CHEBI:48318)
methyl nonanoate (CHEBI:44499) has role plant metabolite (CHEBI:76924)
methyl nonanoate (CHEBI:44499) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name
methyl nonanoate
Synonyms Sources
1-nonanecarboxylic acid ChEBI
Methyl ester nonanoic acid NIST Chemistry WebBook
Methyl n-nonanoate NIST Chemistry WebBook
Methyl nonylate ChemIDplus
Methyl pelargonate ChemIDplus
Pelargonic acid methyl ester NIST Chemistry WebBook
Manual Xrefs Databases
1CLY PDB
DB01631 DrugBank
HMDB0031264 HMDB
NON PDBeChem
View more database links
Registry Numbers Types Sources
1731-84-6 CAS Registry Number ChemIDplus
1731-84-6 CAS Registry Number NIST Chemistry WebBook
1754521 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11999404 PubMed citation Europe PMC
19274268 PubMed citation Europe PMC
23961166 PubMed citation Europe PMC
27084021 PubMed citation Europe PMC
2768835 PubMed citation Europe PMC
IND44580695 Agricola citation Europe PMC
Last Modified
25 January 2017