RefMet Compound Details

MW structure4678 (View MW Metabolite Database details)
RefMet name11(12)-EpETrE-EA
Systematic nameN-((+/-)-11(12)-epoxy-5Z,8Z,14Z-eicosatrienoyl)-ethanolamine
SMILESCCCCC/C=C\CC1OC1C/C=C\C/C=C\CCCC(=O)NCCO
Exact mass363.277344 (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
FormulaC22H37NO3View other entries in RefMet with this formula
InChIInChI=1S/C22H37NO3/c1-2-3-4-5-9-12-15-20-21(26-20)16-13-10-7-6-8-11-14-17-22(25)23-18-19-24/h6,8-10,12-13,20-21,24H,2-5,7,11,14-19
H2,1H3,(H,23,25)/b8-6-,12-9-,13-10-
InChIKeyTYRRSRADDAROSO-KROJNAHFSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty amides
Sub ClassNAE (N-acyl ethanolamines)
Pubchem CID16061183
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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