RefMet Compound Details

RefMet IDRM0154010
MW structure93686 (View MW Metabolite Database details)
RefMet nameCAR 19:0
Systematic nameO-nonadecanoyl-R-carnitine
SMILESCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCAR 19:0 View other entries in RefMet with this sum composition
Exact mass441.381809 (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
FormulaC26H51NO4View other entries in RefMet with this formula
InChIInChI=1S/C26H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)31-24(22-25(28)29)23-27(2,3)4/h24H,5-23H2,1-4H3/t24-/m1/
s1
InChIKeyGWKZIORVZQMWMC-XMMPIXPASA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Pubchem CID145720491
ChEBI ID165599
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo