CHEBI:194206 - dimethyl azelate

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ChEBI Name dimethyl azelate
ChEBI ID CHEBI:194206
Definition A fatty acid methyl ester that is nonanedioic acid in which both carboxy groups are replaced by methoxycarbonyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
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Formula C11H20O4
Net Charge 0
Average Mass 216.277
Monoisotopic Mass 216.13616
InChI InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3
InChIKey DRUKNYVQGHETPO-UHFFFAOYSA-N
SMILES COC(=O)CCCCCCCC(=O)OC
Metabolite of Species Details
Pinus sibirica (NCBI:txid62752) Found in needles and twigs. See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing dimethyl azelate (CHEBI:194206) has functional parent nonanedioic acid (CHEBI:48131)
dimethyl azelate (CHEBI:194206) has role plant metabolite (CHEBI:76924)
dimethyl azelate (CHEBI:194206) is a diester (CHEBI:51307)
dimethyl azelate (CHEBI:194206) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name
dimethyl nonanedioate
Synonyms Sources
1,9-nonanedioic acid dimethyl ester ChEBI
azelaic acid dimethyl ester ChEBI
azelaic acid, dimethyl ester ChEBI
dimethyl nonane-1,9-dioate ChEBI
methyl azelate NIST Chemistry WebBook
nonanedioic acid 1,9-dimethyl ester ChEBI
nonanedioic acid dimethyl ester ChEBI
nonanedioic acid, 1,9-dimethyl ester ChEBI
nonanedioic acid, dimethyl ester ChEBI
Manual Xref Database
C00053572 KNApSAcK
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Registry Numbers Types Sources
1710125 Reaxys Registry Number Reaxys
1732-10-1 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
16572997 PubMed citation Europe PMC
2301969 PubMed citation Europe PMC
23893928 PubMed citation Europe PMC
32840052 PubMed citation Europe PMC
32841870 PubMed citation Europe PMC
33901444 PubMed citation Europe PMC
6503621 PubMed citation Europe PMC
Last Modified
10 January 2023