RefMet Compound Details

MW structure33 (View MW Metabolite Database details)
RefMet nameUndecylic acid
Alternative nameFA 11:0
Systematic nameundecanoic acid
SMILESCCCCCCCCCCC(O)=O
Sum CompositionFA 11:0 View other entries in RefMet with this sum composition
Exact mass186.161980 (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
FormulaC11H22O2View other entries in RefMet with this formula
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKeyZDPHROOEEOARMN-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID8180
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples
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