RefMet Compound Details

MW structure71521 (View MW Metabolite Database details)
RefMet nameCAR 2:0
Systematic nameAcetylcarnitine
SMILESCC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C
Sum CompositionCAR 2:0 View other entries in RefMet with this sum composition
Exact mass203.115759 (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
FormulaC9H17NO4View other entries in RefMet with this formula
InChIInChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyRDHQFKQIGNGIED-QMMMGPOBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Pubchem CID18230
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples
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