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CHEBI:30817 - trans-urocanic acid
| Formula | C6H6N2O2 |
| Net Charge | 0 |
| Average Mass | 138.126 |
| Monoisotopic Mass | 138.04293 |
| SMILES | O=C(O)/C=C/c1cncn1 |
| InChI | InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+ |
| InChIKey | LOIYMIARKYCTBW-OWOJBTEDSA-N |
| Wikipedia |
|---|
| 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). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trans-urocanic acid (CHEBI:30817) has role human metabolite (CHEBI:77746) |
| trans-urocanic acid (CHEBI:30817) is a urocanic acid (CHEBI:27248) |
| trans-urocanic acid (CHEBI:30817) is conjugate acid of trans-urocanate (CHEBI:17771) |
| Incoming Relation(s) |
| trans-urocanate (CHEBI:17771) is conjugate base of trans-urocanic acid (CHEBI:30817) |
| IUPAC Name |
|---|
| (2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid |
| Synonyms | Source |
|---|---|
| Urocanic acid | KEGG COMPOUND |
| (2E)-3-(1H-imidazol-4-yl)acrylic acid | PDBeChem |
| (E)-3-(1H-imidazol-4-yl)-2-propenoic acid | ChemIDplus |
| trans-urocanic acid | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C00785 | KEGG COMPOUND |
| URO | PDBeChem |
| DB01971 | DrugBank |
| Urocanic_acid | Wikipedia |
| HMDB0034174 | HMDB |
| RU2445307 | Patent |
| Registry Numbers | Sources |
|---|---|
| Beilstein:81405 | Beilstein |
| Reaxys:81403 | Reaxys |
| CAS:104-98-3 | KEGG COMPOUND |
| CAS:3465-72-3 | ChemIDplus |
| Citations |
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