RefMet Compound Details

MW structure2758 (View MW Metabolite Database details)
RefMet name8,9-EpETrE
Systematic name8,9-epoxy-5Z,11Z,14Z-eicosatrienoic acid
SMILESCCCCC/C=C\C/C=C\CC1C(C/C=C\CCCC(=O)O)O1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass320.235145 (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
FormulaC20H32O3View other entries in RefMet with this formula
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,2
1,22)/b7-6-,12-9-,13-10-
InChIKeyDBWQSCSXHFNTMO-TYAUOURKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassEpETrE
Pubchem CID5283203
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

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

Rxn IDKEGG ReactionEnzyme
R07051 Arachidonate + Oxygen + NADPH + H+ <=> 8,9-EET + NADP+ + H2OArachidonate + Oxygen + NADPH + H+ <=> 8,9-EET + NADP+ + H2O
R07110 8,9-EET + H2O <=> 8,9-DHET8,9-EET hydrolase

Table of KEGG human pathways containing 8,9-EpETrE

Pathway IDHuman Pathway# of reactions
hsa00590 Arachidonic acid metabolism 2
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