CHEBI:16974 - imidazol-4-ylacetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name imidazol-4-ylacetic acid
ChEBI ID CHEBI:16974
Definition A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12017, CHEBI:5875, CHEBI:14435, CHEBI:24776, CHEBI:24777
Supplier Information ChemicalBook:CB8844402, eMolecules:1012277, ZINC000019735138
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Formula C5H6N2O2
Net Charge 0
Average Mass 126.114
Monoisotopic Mass 126.04293
InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
InChIKey PRJKNHOMHKJCEJ-UHFFFAOYSA-N
SMILES C=1NC=C(CC(O)=O)N1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
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): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing imidazol-4-ylacetic acid (CHEBI:16974) has functional parent acetic acid (CHEBI:15366)
imidazol-4-ylacetic acid (CHEBI:16974) has role mouse metabolite (CHEBI:75771)
imidazol-4-ylacetic acid (CHEBI:16974) is a imidazoles (CHEBI:24780)
imidazol-4-ylacetic acid (CHEBI:16974) is a monocarboxylic acid (CHEBI:25384)
imidazol-4-ylacetic acid (CHEBI:16974) is conjugate acid of imidazol-4-ylacetate (CHEBI:57969)
imidazol-4-ylacetic acid (CHEBI:16974) is tautomer of 2H-imidazol-4-ylacetic acid (CHEBI:43615)
imidazol-4-ylacetic acid (CHEBI:16974) is tautomer of imidazol-5-ylacetic acid (CHEBI:70804)
Incoming imidazol-4-ylacetate (CHEBI:57969) is conjugate base of imidazol-4-ylacetic acid (CHEBI:16974)
2H-imidazol-4-ylacetic acid (CHEBI:43615) is tautomer of imidazol-4-ylacetic acid (CHEBI:16974)
imidazol-5-ylacetic acid (CHEBI:70804) is tautomer of imidazol-4-ylacetic acid (CHEBI:16974)
IUPAC Name
1H-imidazol-4-ylacetic acid
Synonyms Sources
1H-Imidazole-4-acetic acid ChemIDplus
4(5)-Imidazoleacetate ChemIDplus
4-Imidazoleacetate KEGG COMPOUND
Imidazole-4-acetate KEGG COMPOUND
Imidazoleacetic acid KEGG COMPOUND
Manual Xrefs Databases
4-IMIDAZOLEACETATE MetaCyc
C02835 KEGG COMPOUND
HMDB0002024 HMDB
View more database links
Registry Numbers Types Sources
3478 Reaxys Registry Number Reaxys
645-65-8 CAS Registry Number KEGG COMPOUND
645-65-8 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
08 February 2017