RefMet Compound Details

MW structure80 (View MW Metabolite Database details)
RefMet nameIsopentadecylic acid
Systematic name13-methyl-tetradecanoic acid
SMILESCC(C)CCCCCCCCCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 15:0 View other entries in RefMet with this sum composition
Exact mass242.224580 (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
FormulaC15H30O2View other entries in RefMet with this formula
InChIInChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChIKeyZOCYQVNGROEVLU-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassBranched FA
Pubchem CID151014
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo