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

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ChEBI Name 1-methyl-imidazole-4-carboxylic acid
ChEBI ID CHEBI:74746
Definition An imidazole with methyl and carboxylic acid group substituents at positions 1 and 4 respectively.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C5H6N2O2
Net Charge 0
Average Mass 126.11330
Monoisotopic Mass 126.04293
InChI InChI=1S/C5H6N2O2/c1-7-2-4(5(8)9)6-3-7/h2-3H,1H3,(H,8,9)
InChIKey WZTRQGJMMHMFGH-UHFFFAOYSA-N
SMILES Cn1cnc(c1)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 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 Number Type Source
742407 Reaxys Registry Number Reaxys
Last Modified
16 July 2013