RefMet Compound Details

MW structure37269 (View MW Metabolite Database details)
RefMet name3-Methylhistidine
Systematic name(2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
SMILESCn1cncc1C[C@@H](C(=O)O)N   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
InChIKeyJDHILDINMRGULE-LURJTMIESA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID64969
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 3-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 3-Methylhistidine

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