RefMet Compound Details

MW structure71675 (View MW Metabolite Database details)
RefMet name1-Methylhistidine
Systematic name(2S)-2-ammonio-3-(1-methylimidazol-4-yl)propionate
SMILESC[n]1cc(C[C@@H](N)C(O)=O)[n]c1
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/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyBRMWTNUJHUMWMS-LURJTMIESA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID92105
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving 1-Methylhistidine

Rxn IDKEGG ReactionEnzyme
R03286 ATP + N(pi)-Methyl-L-histidine + beta-Alanine <=> ADP + Orthophosphate + beta-Alanyl-N(pi)-methyl-L-histidineN(pi)-methyl-L-histidine:beta-alanine ligase (ADP-forming)

Table of KEGG human pathways containing 1-Methylhistidine

Pathway IDHuman Pathway# of reactions
hsa00410 beta-Alanine metabolism 2
hsa00340 Histidine metabolism 1
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