RefMet Compound Details

MW structure38728 (View MW Metabolite Database details)
RefMet nameCAR 14:0
Systematic name(3R)-3-(tetradecanoyloxy)-4-(trimethylazaniumyl)butanoate
SMILESCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCAR 14:0 View other entries in RefMet with this sum composition
Exact mass371.303559 (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
FormulaC21H41NO4View other entries in RefMet with this formula
InChIKeyPSHXNVGSVNEJBD-LJQANCHMSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Pubchem CID53477791
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)