RefMet Compound Details

MW structure4484 (View MW Metabolite Database details)
RefMet nameCAR 16:0
Systematic namePalmitoylcarnitine
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCAR 16:0 View other entries in RefMet with this sum composition
Exact mass399.334859 (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
FormulaC23H45NO4View other entries in RefMet with this formula
InChIKeyXOMRRQXKHMYMOC-OAQYLSRUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Pubchem CID11953816
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving CAR 16:0

Rxn IDKEGG ReactionEnzyme
R01923 Palmitoyl-CoA + L-Carnitine <=> CoA + L-Palmitoylcarnitinepalmitoyl-CoA:L-carnitine O-palmitoyltransferase

Table of KEGG human pathways containing CAR 16:0

Pathway IDHuman Pathway# of reactions
hsa00071 Fatty acid degradation 1
hsa01212 Fatty acid metabolism 1