urocanate

Chemical Formula:

C₆H₅N₂O₂

Molecular Weight:

137.118 Daltons

Monoisotopic Mass:

138.0429274472 Daltons

SMILES:

C1(NC=NC=1C=CC([O-])=O)

InChI:

1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/p-1/b2-1+

InChIKey:

LOIYMIARKYCTBW-OWOJBTEDSA-M

Synonyms

Databases

MetaCyc: UROCANATE

RefMet: Urocanic acid

MetaboLights: MTBLC17771

HMDB: HMDB00301

ChemSpider: 4573734

PubChem (CID): 5460052 736715

ChEBI: 17771

KEGG: C00785

CAS: 104-98-3

Reactome: 30721

Seed: cpd00581

MetaNetX: MNXM700