RefMet Compound Details

MW structure1050 (View MW Metabolite Database details)
RefMet name5,8,11-Eicosatriynoic acid
Alternative nameFA 20:6
Systematic name5,8,11-Eicosatriynoic acid
SMILESCCCCCCCCC#CCC#CCC#CCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 20:6 View other entries in RefMet with this sum composition
Exact mass300.208930 (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
FormulaC20H28O2View other entries in RefMet with this formula
InChIInChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-8,11,14,17-19H2,1H3,(H,21,22)
InChIKeyOWYNLPMPYBYKJP-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassUnsaturated FA
Pubchem CID1781
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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