RefMet Compound Details

RefMet IDRM0154012
MW structure38095 (View MW Metabolite Database details)
RefMet nameCAR 12:0
Systematic nameLauroylcarnitine
SMILESCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCAR 12:0 View other entries in RefMet with this sum composition
Exact mass343.272259 (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
FormulaC19H37NO4View other entries in RefMet with this formula
InChIInChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1
InChIKeyFUJLYHJROOYKRA-QGZVFWFLSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Pubchem CID168381
ChEBI ID77086
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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