RefMet Compound Details

MW structure37037 (View MW Metabolite Database details)
RefMet nameCarnosine
Systematic name(2S)-2-(3-aminopropanamido)-3-(1H-imidazol-5-yl)propanoic acid
SMILESC(CN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass226.106591 (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
FormulaC9H14N4O3View other entries in RefMet with this formula
InChIKeyCQOVPNPJLQNMDC-ZETCQYMHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID439224
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Carnosine

Rxn IDKEGG ReactionEnzyme
R01164 ATP + L-Histidine + beta-Alanine <=> ADP + Orthophosphate + CarnosineL-histidine:beta-alanine ligase (ADP-forming)
R01166 Carnosine + H2O <=> beta-Alanine + L-HistidineNalpha-(beta-alanyl)-L-histidine hydrolase
R02144 S-Adenosyl-L-methionine + Carnosine <=> S-Adenosyl-L-homocysteine + beta-Alanyl-N(pi)-methyl-L-histidineS-adenosyl-L-methionine:carnosine N-methyltransferase

Table of KEGG human pathways containing Carnosine

Pathway IDHuman Pathway# of reactions
hsa00340 Histidine metabolism 3
hsa00410 beta-Alanine metabolism 2