RefMet Compound Details

RefMet IDRM0186596
MW structure204325 (View MW Metabolite Database details)
RefMet nameDihomo-gamma-linolenoylcholine
Systematic name2-[(8Z,11Z,14Z)-eicosa-8,11,14-trienoyl]oxyethyl-trimethyl-ammonium
SMILESCCCCC/C=CC/C=CC/C=CCCCCCCC(=O)OCC[N+](C)(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass392.352854 (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
FormulaC25H46NO2View other entries in RefMet with this formula
InChI
InChIKeyCPIZQONKXRTJBX-YOILPLPUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic nitrogen compounds
Main ClassCholines
Sub ClassAcyl cholines
Pubchem CID156960908
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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