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CHEBI:74747 - 5-methyl-imidazole-4-carboxylic acid

ChEBI IDCHEBI:74747
ChEBI Name5-methyl-imidazole-4-carboxylic acid
Stars
DefinitionAn imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 4 respectively.
Last Modified8 February 2017
Submittermwilliams
DownloadsMolfile
FormulaC5H6N2O2
Net Charge0
Average Mass126.115
Monoisotopic Mass126.04293
SMILESCc1ncnc1C(=O)O
InChIInChI=1S/C5H6N2O2/c1-3-4(5(8)9)7-2-6-3/h2H,1H3,(H,6,7)(H,8,9)
InChIKeyULHLTDXPKWELHQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5-methyl-imidazole-4-carboxylic acid (CHEBI:74747) has role metabolite (CHEBI:25212)
5-methyl-imidazole-4-carboxylic acid (CHEBI:74747) is a imidazolyl carboxylic acid (CHEBI:38307)
IUPAC Name 
5-methyl-1H-imidazole-4-carboxylic acid
Registry NumbersSources
Reaxys:3904376Reaxys
CAS:1457-59-6ChemIDplus