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

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ChEBI Name	9,12,13-trihydroxyoctadec-10-enoic acid

ChEBI ID	CHEBI:91217

Definition	A TriHOME that is octadec-10-enoic acid in which the three hydroxy substituents are located at positions 9, 12 and 13.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H34O5

Net Charge

Average Mass

330.460

Monoisotopic Mass

330.24062

InChI

InChI=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-

InChIKey

MDIUMSLCYIJBQC-YPKPFQOOSA-N

SMILES

C(C=CC(C(O)CCCCC)O)(O)CCCCCCCC(O)=O

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	Found in root (BTO:0001188). See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702)	Found in root (BTO:0001188). See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via TriHOME )

ChEBI Ontology
Outgoing	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	Sources
9,12,13-Todea	ChemIDplus
9,12,13-TriHOME(10)	LIPID MAPS
9,12,13-Trihydroxy-10-octadecenoic acid	ChemIDplus

Last Modified

26 July 2016