RefMet Compound Details

RefMet IDRM0188064
MW structure206771 (View MW Metabolite Database details)
RefMet nameDocosahexaenoylcholine
Systematic name2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxyethyl-trimethyl-ammonium
SMILESCC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCCC(=O)OCC[N+](C)(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass414.337204 (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
FormulaC27H44NO2View other entries in RefMet with this formula
InChI
InChIKeyOQLFEDZOXQQFGP-WSDBEMKQSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassShort fatty esters
Pubchem CID9823108
Annotation level3   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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