Urocanic acid
InChI:
InChI=1/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
InChIKey:
InChIKey=LOIYMIARKYCTBW-OWOJBTEDBA
SMILES:
OC(=O)\C=C\C1=CNC=N1
CAS number 104-98-3
Names:
trans-urocanic acid
Urocanate
Urocanic acid
(E)-3-(1H-imidazol-4-yl)-2-propenoic acid
(2E)-3-(1H-imidazol-4-yl)acrylic acid
Registries:
PubChem CID 736715
Beilstein =81403
Beilstein =81405
CAS 104-98-3 (from NIST)
CAS 3465-72-3 (from NIST)
ChEBI 30817
chemPDB URO
Kegg C00785
PubChem ID 4043