RefMet Compound Details

RefMet IDRM0156068
MW structure37897 (View MW Metabolite Database details)
RefMet name3-Methylhistamine
Systematic name2-(1-methyl-1H-imidazol-5-yl)ethan-1-amine
SMILESCn1cncc1CCN   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass125.095297 (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
FormulaC6H11N3View other entries in RefMet with this formula
InChIInChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3
InChIKeyCPAGZVLINCPJEH-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic nitrogen compounds
Main ClassAmines
Sub ClassAralkylamines
Pubchem CID69520
ChEBI ID114444
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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