RefMet Compound Details

MW structure2696 (View MW Metabolite Database details)
RefMet name12-HETE
Systematic name12-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
SMILESCCCCC/C=C\CC(/C=C/C=C\C/C=C\CCCC(=O)O)O   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/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,2
3)/b9-7-,11-8-,13-10-,17-14+
InChIKeyZNHVWPKMFKADKW-VXBMJZGYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassHETE
Pubchem CID13786989
Annotation level2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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