RefMet Compound Details

MW structure2697 (View MW Metabolite Database details)
RefMet name9-HETE
Systematic name9-hydroxy-5Z,7E,11Z,14Z-eicosatetraenoic acid
SMILESCCCCC/C=C\C/C=C\CC(/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
InChIKeyKATOYYZUTNAWSA-OIZRIKEUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassHETE
Pubchem CID14123398
Annotation level2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)