CHEBI:57969 - imidazol-4-ylacetate

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ChEBI Name imidazol-4-ylacetate
ChEBI ID CHEBI:57969
Definition Conjugate base of imidazol-4-ylacetic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C5H5N2O2
Net Charge -1
Average Mass 125.106
Monoisotopic Mass 125.03565
InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)/p-1
InChIKey PRJKNHOMHKJCEJ-UHFFFAOYSA-M
SMILES C=1NC=C(CC([O-])=O)N1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing imidazol-4-ylacetate (CHEBI:57969) has role human metabolite (CHEBI:77746)
imidazol-4-ylacetate (CHEBI:57969) is a monocarboxylic acid anion (CHEBI:35757)
imidazol-4-ylacetate (CHEBI:57969) is conjugate base of imidazol-4-ylacetic acid (CHEBI:16974)
Incoming imidazol-4-ylacetic acid (CHEBI:16974) is conjugate acid of imidazol-4-ylacetate (CHEBI:57969)
Synonyms Sources
imidazol-4-ylacetate anion ChEBI
imidazol-4-ylacetate(1−) ChEBI
imidazole-4-acetate UniProt
Registry Numbers Types Sources
464441 Gmelin Registry Number Gmelin
4801777 Beilstein Registry Number Beilstein
Last Modified
08 February 2017