RefMet Compound Details

MW structure4483 (View MW Metabolite Database details)
RefMet nameCAR 4:0
Systematic nameButanoylcarnitine
SMILESCCCC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C
Sum CompositionCAR 4:0 View other entries in RefMet with this sum composition
Exact mass231.147059 (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
FormulaC11H21NO4View other entries in RefMet with this formula
InChIInChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyQWYFHHGCZUCMBN-SECBINFHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Pubchem CID213144
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples
  logo