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

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ChEBI Name 5-methyl-imidazole-4-carboxylic acid
ChEBI ID CHEBI:74747
Definition An imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 4 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C5H6N2O2
Net Charge 0
Average Mass 126.114
Monoisotopic Mass 126.04293
InChI InChI=1S/C5H6N2O2/c1-3-4(5(8)9)7-2-6-3/h2H,1H3,(H,6,7)(H,8,9)
InChIKey ULHLTDXPKWELHQ-UHFFFAOYSA-N
SMILES N=1C(=C(NC1)C)C(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Numbers Types Sources
1457-59-6 CAS Registry Number ChemIDplus
3904376 Reaxys Registry Number Reaxys
Last Modified
08 February 2017