RefMet Compound Details

MW structure42 (View MW Metabolite Database details)
RefMet nameHeneicosylic acid
Alternative nameFA 21:0
Systematic nameheneicosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCC(O)=O
Sum CompositionHeneicosanoic acid View other entries in RefMet with this sum composition
Exact mass326.318480 (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
FormulaC21H42O2View other entries in RefMet with this formula
InChIInChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
InChIKeyCKDDRHZIAZRDBW-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID16898
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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