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CHEBI:66038 - (10E,12Z,15Z)-9-hydroxy-10,12,15-octadecatrienoic acid methyl ester

Default Structure
ChEBI IDCHEBI:66038
ChEBI Name(10E,12Z,15Z)-9-hydroxy-10,12,15-octadecatrienoic acid methyl ester
Stars
ASCII Name(10E,12Z,15Z)-9-hydroxy-10,12,15-octadecatrienoic acid methyl ester
DefinitionA fatty acid methyl ester isolated from leaves and twigs of Ehretia dicksonii. It exhibits anti-inflammatory and inhibition of lipoxygenase activities.
Last Modified3 March 2015
DownloadsMolfile
FormulaC19H32O3
Net Charge0
Average Mass308.462
Monoisotopic Mass308.23514
SMILESCC/C=C\C/C=C\C=C\C(O)CCCCCCCC(=O)OC
InChIInChI=1S/C19H32O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h4-5,7,9,12,15,18,20H,3,6,8,10-11,13-14,16-17H2,1-2H3/b5-4-,9-7-,15-12+
InChIKeyMTOOOXVLHAITCG-RUDXKNGCSA-N
Species of MetaboliteComponentSourceComments
Ehretia dicksonii (IPNI:116012-1)
twig (BTO:0001411) PubMed (10830513)
leaf (BTO:0000713) PubMed (10830513)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
lipoxygenase inhibitor  A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
(10E,12Z,15Z)-9-hydroxy-10,12,15-octadecatrienoic acid methyl ester (CHEBI:66038) has role anti-inflammatory agent (CHEBI:67079)
(10E,12Z,15Z)-9-hydroxy-10,12,15-octadecatrienoic acid methyl ester (CHEBI:66038) has role lipoxygenase inhibitor (CHEBI:35856)
(10E,12Z,15Z)-9-hydroxy-10,12,15-octadecatrienoic acid methyl ester (CHEBI:66038) has role metabolite (CHEBI:25212)
(10E,12Z,15Z)-9-hydroxy-10,12,15-octadecatrienoic acid methyl ester (CHEBI:66038) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Registry NumbersSources
Reaxys:2335185Reaxys
Citations