RefMet Compound Details

MW structure54 (View MW Metabolite Database details)
RefMet namePsyllic acid
Alternative nameFA 33:0
Systematic nametritriacontanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
Sum CompositionPsyllic acid View other entries in RefMet with this sum composition
Exact mass494.506280 (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
FormulaC33H66O2View other entries in RefMet with this formula
InChIInChI=1S/C33H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)35/h2-32H2,1H3,(H,34,35)
InChIKeyHQRWEDFDJHDPJC-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID181572
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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