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CHEBI:27248 - urocanic acid
| Formula | C6H6N2O2 |
| Net Charge | 0 |
| Average Mass | 138.126 |
| Monoisotopic Mass | 138.04293 |
| SMILES | [H]C(C(=O)O)=C([H])c1cncn1 |
| InChI | InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10) |
| InChIKey | LOIYMIARKYCTBW-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (8825190) |
| Roles Classification |
|---|
| Chemical Roles: | chromophore The part (atom or group of atoms) of a molecular entity in which the electronic transition responsible for a given spectral band is approximately localized. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| urocanic acid (CHEBI:27248) has role chromophore (CHEBI:23240) |
| urocanic acid (CHEBI:27248) has role human metabolite (CHEBI:77746) |
| urocanic acid (CHEBI:27248) is a imidazoles (CHEBI:24780) |
| urocanic acid (CHEBI:27248) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| urocanic acid (CHEBI:27248) is conjugate acid of urocanate (CHEBI:27247) |
| Incoming Relation(s) |
| cis-urocanic acid (CHEBI:30818) is a urocanic acid (CHEBI:27248) |
| trans-urocanic acid (CHEBI:30817) is a urocanic acid (CHEBI:27248) |
| urocanate (CHEBI:27247) is conjugate base of urocanic acid (CHEBI:27248) |
| IUPAC Name |
|---|
| 3-(1H-imidazol-4-yl)prop-2-enoic acid |
| Synonyms | Source |
|---|---|
| 3-(1H-imidazol-4-yl)-2-propenoic acid | ChemIDplus |
| 3-imidazol-4-ylacrylic acid | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| ECMDB21396 | ECMDB |
| HMDB0000301 | HMDB |
| URO | PDBeChem |
| UROCANATE | MetaCyc |
| Urocanic_acid | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8128219 | Reaxys |
| CAS:104-98-3 | ChemIDplus |
| Citations |
|---|