RefMet Compound Details

MW structure156017 (View MW Metabolite Database details)
RefMet nameNonatriacontanoic acid
Systematic nameNonatriacontanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 39:0 View other entries in RefMet with this sum composition
Exact mass578.600180 (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
FormulaC39H78O2View other entries in RefMet with this formula
InChI
InChIKeySDUXWTQRQALDFW-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID14324898
  logo