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CHEBI:16806 - xanthine-8-carboxylate

ChEBI IDCHEBI:16806
ChEBI Namexanthine-8-carboxylate
Stars
Secondary ChEBI IDsCHEBI:15319, CHEBI:27318
Last Modified19 July 2014
DownloadsMolfile
FormulaC6H3N4O4
Net Charge-1
Average Mass195.114
Monoisotopic Mass195.01598
SMILESO=C([O-])c1nc2nc(=O)nc(=O)c2n1
InChIInChI=1S/C6H4N4O4/c11-4-1-2(9-6(14)10-4)8-3(7-1)5(12)13/h(H,12,13)(H3,7,8,9,10,11,14)/p-1
InChIKeyVRZJGNXBSRQZGM-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
xanthine-8-carboxylate (CHEBI:16806) has functional parent xanthine (CHEBI:15318)
xanthine-8-carboxylate (CHEBI:16806) is a purinecarboxylate (CHEBI:38668)
xanthine-8-carboxylate (CHEBI:16806) is conjugate base of xanthine-8-carboxylic acid (CHEBI:30881)
Incoming Relation(s)
xanthine-8-carboxylic acid (CHEBI:30881) is conjugate acid of xanthine-8-carboxylate (CHEBI:16806)
IUPAC Name 
2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylate
UniProt Name  Source
xanthine-8-carboxylateUniProt
Manual XrefsDatabases
C03314KEGG COMPOUND