CHEBI:70801 - imidazol-1-ylacetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 subsituted by an imidazol-1-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
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.
View more via ChEBI Ontology
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
View more database links
Registry Number Type Source
112120 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
08 February 2017