RefMet Compound Details

MW structure37897 (View MW Metabolite Database details)
RefMet name3-Methylhistamine
Systematic name2-(1-methyl-1H-imidazol-5-yl)ethan-1-amine
SMILESC[n]1c[n]cc1CCN
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
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 3-Methylhistamine

Rxn IDKEGG ReactionEnzyme
R02155 S-Adenosyl-L-methionine + Histamine <=> S-Adenosyl-L-homocysteine + N-MethylhistamineS-Adenosyl-L-methionine:histamine N-tele-methyltransferase
R04674 N-Methylhistamine + H2O + Oxygen <=> Methylimidazole acetaldehyde + Ammonia + Hydrogen peroxideN-methylhistamine:oxygen oxidoreductase (deaminating)

Table of KEGG human pathways containing 3-Methylhistamine

Pathway IDHuman Pathway# of reactions
hsa00340 Histidine metabolism 2
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