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CHEBI:74746 - 1-methyl-imidazole-4-carboxylic acid

ChEBI IDCHEBI:74746
ChEBI Name1-methyl-imidazole-4-carboxylic acid
Stars
DefinitionAn imidazole with methyl and carboxylic acid group substituents at positions 1 and 4 respectively.
Last Modified16 July 2013
Submittermwilliams
DownloadsMolfile
FormulaC5H6N2O2
Net Charge0
Average Mass126.115
Monoisotopic Mass126.04293
SMILESCn1cnc(C(=O)O)c1
InChIInChI=1S/C5H6N2O2/c1-7-2-4(5(8)9)6-3-7/h2-3H,1H3,(H,8,9)
InChIKeyWZTRQGJMMHMFGH-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)
1-methyl-imidazole-4-carboxylic acid (CHEBI:74746) has role metabolite (CHEBI:25212)
1-methyl-imidazole-4-carboxylic acid (CHEBI:74746) is a imidazolyl carboxylic acid (CHEBI:38307)
IUPAC Name 
1-methyl-1H-imidazole-4-carboxylic acid
Registry NumbersSources
Reaxys:742407Reaxys