RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0139511
RefMet name8,9-DiHETrE
Systematic name8,9-dihydroxy-5Z,11Z,14Z-eicosatrienoic acid
SynonymsPubChem Synonyms
Exact mass338.245710 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC20H34O4View other entries in RefMet with this formula
Molecular descriptors
Molfile2614 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H
3,(H,23,24)/b7-6-,12-9-,13-10-
InChIKeyDCJBINATHQHPKO-TYAUOURKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/C=C\C/C=C\CC(C(C/C=C\CCCC(=O)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassHETrE
Distribution of 8,9-DiHETrE in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting 8,9-DiHETrE
External Links
Pubchem CID5283144
LIPID MAPSLMFA03050006
ChEBI ID63970
KEGG IDC14773
HMDB IDHMDB0002311
Chemspider ID4446268
Spectral data for 8,9-DiHETrE standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 8,9-DiHETrE

Rxn IDKEGG ReactionEnzyme
R07110 8,9-EET + H2O <=> 8,9-DHET8,9-EET hydrolase

Table of KEGG human pathways containing 8,9-DiHETrE

Pathway IDHuman Pathway# of reactions
hsa00590 Arachidonic acid metabolism 1
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