RefMet Compound Details

MW structure37241 (View MW Metabolite Database details)
RefMet namePhytanic acid
Systematic name(3R,7R,11R)-3,7,11,15-tetramethylhexadecanoic acid
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass312.302830 (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
FormulaC20H40O2View other entries in RefMet with this formula
InChIKeyRLCKHJSFHOZMDR-GUDVDZBRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassC20 isoprenoids
Pubchem CID10380830
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)