CHEBI:70801 - imidazol-1-ylacetic acid

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ChEBI Name imidazol-1-ylacetic acid
ChEBI ID CHEBI:70801
Definition An imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by an imidazol-1-yl group.
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/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9)
InChIKey QAFBDRSXXHEXGB-UHFFFAOYSA-N
SMILES C1=CN(CC(=O)O)C=N1
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 imidazol-1-ylacetic acid (CHEBI:70801) has functional parent acetic acid (CHEBI:15366)
imidazol-1-ylacetic acid (CHEBI:70801) has role metabolite (CHEBI:25212)
imidazol-1-ylacetic acid (CHEBI:70801) is a imidazolyl carboxylic acid (CHEBI:38307)
IUPAC Name
1H-imidazol-1-ylacetic acid
Synonym Source
2-(imidazol-1-yl)acetic acid ChEBI
Manual Xref Database
HMDB0029736 HMDB
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Registry Number Type Source
112120 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
05 March 2020