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CHEBI:91217 - 9,12,13-trihydroxyoctadec-10-enoic acid

ChEBI IDCHEBI:91217
ChEBI Name9,12,13-trihydroxyoctadec-10-enoic acid
Stars
DefinitionA TriHOME that is octadec-10-enoic acid in which the three hydroxy substituents are located at positions 9, 12 and 13.
Last Modified26 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC18H34O5
Net Charge0
Average Mass330.465
Monoisotopic Mass330.24062
SMILESCCCCCC(O)C(O)/C=C\C(O)CCCCCCCC(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13-
InChIKeyMDIUMSLCYIJBQC-YPKPFQOOSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) MetaboLights (MTBLS160)
root (BTO:0001188) PubMed (25457500)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
9,12,13-trihydroxyoctadec-10-enoic acid (CHEBI:91217) has role plant metabolite (CHEBI:76924)
9,12,13-trihydroxyoctadec-10-enoic acid (CHEBI:91217) is a long-chain fatty acid (CHEBI:15904)
9,12,13-trihydroxyoctadec-10-enoic acid (CHEBI:91217) is a TriHOME (CHEBI:73765)
IUPAC Name 
9,12,13-trihydroxyoctadec-10-enoic acid
Synonyms  Source
9,12,13-TodeaChemIDplus
9,12,13-Trihydroxy-10-octadecenoic acidChemIDplus
9,12,13-TriHOME(10)LIPID MAPS
Manual XrefsDatabases
LMFA02000169LIPID MAPS
Registry NumbersSources
Reaxys:22819892Reaxys
CAS:29907-56-0ChemIDplus
Citations