RefMet Compound Details

MW structure49923 (View MW Metabolite Database details)
RefMet nameLenticin
Systematic name(2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
SMILESC[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass246.136828 (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
FormulaC14H18N2O2View other entries in RefMet with this formula
InChIKeyAOHCBEAZXHZMOR-ZDUSSCGKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassTryptamines
Pubchem CID442106
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)