loading...| Preferred Name |
urocanic acid |
| Synonyms |
3-(1H-imidazol-4-yl)-2-propenoic acid 3-imidazol-4-ylacrylic acid 3-(1H-imidazol-4-yl)prop-2-enoic acid |
| Definitions |
An alpha,beta-unsaturated monocarboxylic acid that is prop-2-enoic acid substituted by a 1H-imidazol-4-yl group at position 3. It is a metabolite of hidtidine. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_27248 |
| charge |
0 |
| database_cross_reference |
Reaxys:8128219 PDBeChem:URO CAS:104-98-3 ECMDB:ECMDB21396 Beilstein:8128219 PMID:11669511 Wikipedia:Urocanic_acid MetaCyc:UROCANATE PMID:24627570 HMDB:HMDB0000301 PMID:24397532 |
| definition |
An alpha,beta-unsaturated monocarboxylic acid that is prop-2-enoic acid substituted by a 1H-imidazol-4-yl group at position 3. It is a metabolite of hidtidine. |
| formula |
C6H6N2O2 |
| has role | |
| has_exact_synonym |
3-(1H-imidazol-4-yl)prop-2-enoic acid |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
3-(1H-imidazol-4-yl)-2-propenoic acid 3-imidazol-4-ylacrylic acid |
| id |
CHEBI:27248 |
| in_subset | |
| 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 |
| is conjugate acid of | |
| label |
urocanic acid |
| mass |
138.12412 |
| monoisotopicmass |
138.04293 |
| notation |
CHEBI:27248 |
| prefLabel |
urocanic acid |
| smiles |
[H]C(=C([H])c1c[nH]cn1)C(O)=O |
| treeView | |
| subClassOf |