RefMet Compound Details

MW structure4482 (View MW Metabolite Database details)
RefMet nameCAR 8:0
Systematic nameO-octanoyl-R-carnitine
SMILESCCCCCCCC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C
Sum CompositionCAR 8:0 View other entries in RefMet with this sum composition
Exact mass287.209659 (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
FormulaC15H29NO4View other entries in RefMet with this formula
InChIInChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1
InChIKeyCXTATJFJDMJMIY-CYBMUJFWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Pubchem CID11953814
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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