RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135868
RefMet nameCarnosine
Systematic name(2S)-2-(3-aminopropanamido)-3-(1H-imidazol-5-yl)propanoic acid
SynonymsPubChem Synonyms
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
Molecular descriptors
Molfile37037 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyCQOVPNPJLQNMDC-ZETCQYMHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC(CN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Distribution of Carnosine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Carnosine
External Links
Pubchem CID439224
ChEBI ID15727
KEGG IDC00386
HMDB IDHMDB0000033
Chemspider ID388363
MetaCyc IDCARNOSINE
Spectral data for Carnosine standards
BMRB ID(NMR)View NMR spectra
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
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
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