CHEBI:66231 - tianshic acid methyl ester

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ChEBI Name tianshic acid methyl ester
ChEBI ID CHEBI:66231
Definition A fatty acid methyl ester of tianshic acid. It has been isolated from the stems of Sambucus williamsii.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H36O5
Net Charge 0
Average Mass 344.48610
Monoisotopic Mass 344.25627
InChI InChI=1S/C19H36O5/c1-3-4-5-9-12-17(21)18(22)15-14-16(20)11-8-6-7-10-13-19(23)24-2/h14-18,20-22H,3-13H2,1-2H3/b15-14+
InChIKey VAGGDCACZPJMFS-CCEZHUSRSA-N
SMILES CCCCCCC(O)C(O)\C=C\C(O)CCCCCCC(=O)OC
Metabolite of Species Details
Sambucus williamsii (NCBI:txid180062) Found in stem (BTO:0001300). See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tianshic acid methyl ester (CHEBI:66231) has role plant metabolite (CHEBI:76924)
tianshic acid methyl ester (CHEBI:66231) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name
methyl (9E)-8,11,12-trihydroxyoctadec-9-enoate
Citation Waiting for Citations Type Source
16651764 PubMed citation Europe PMC
Last Modified
25 November 2014
General Comment
2014-10-17 Suggested Classification: ISA:fatty acid methyl ester(CHEBI:4986); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);