RefMet Compound Details

MW structure73590 (View MW Metabolite Database details)
RefMet nameN-Methylhistidine
Systematic nameN-methyl-L-histidine
SMILESCN[C@@H](Cc1c[nH]cn1)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass169.085127 (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
FormulaC7H11N3O2View other entries in RefMet with this formula
InChIInChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyCYZKJBZEIFWZSR-LURJTMIESA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID90638
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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