Urocanate
Urocanate synonyms
Urocanic acid; Imidazole-4-acrylic acid; 5-Imidazoleacrylic acid; 4-Imidazoleacrylic acid; UROCANIC ACID; 3-Imidazol-4-ylacrylic acid; Imidazoleacrylic acid; 2-Propenoic acid, 3-(1H-imidazol-4-yl)-; 3-(1H-Imidazol-4-yl)-2-propenoic acid; Urocaninic acid
Graphical representations:
View large 3D structure
Molecular Formula: C6H6N2O2
Natural Isotopic Abundance Mass: 138.1240400000
Mono-Isotopic Molecular Masses:
- C12N14: 138.042927447
- C13N14: 144.063056474
- C12N15: 140.036997234
- C13N15: 146.0571262604
InChI string: InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
IUPAC: 3-(3H-imidazol-4-yl)prop-2-enoic acid
PubChem Compound (CID): 1178KEGG Compound ID: C00785
ChemIDplus: 000104983
CAS Registry number: 104-98-3
EINECS: 203-258-4
CCRIS: 3414
Beilstein Handbook Reference: 4-25-00-00786
PDB Compound ID: URO
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)