RefMet Compound Details

MW structure604 (View MW Metabolite Database details)
RefMet nameAdrenic acid
Alternative nameFA 22:4(7Z,10Z,13Z,16Z)
Systematic name7Z,10Z,13Z,16Z-docosatetraenoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 22:4 View other entries in RefMet with this sum composition
Exact mass332.271530 (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
FormulaC22H36O2View other entries in RefMet with this formula
InChIKeyTWSWSIQAPQLDBP-DOFZRALJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassUnsaturated FA
Pubchem CID5497181
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)