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CHEBI:30881 - xanthine-8-carboxylic acid

ChEBI IDCHEBI:30881
ChEBI Namexanthine-8-carboxylic acid
Stars
Secondary ChEBI IDsCHEBI:10060, CHEBI:27319
Last Modified26 June 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H4N4O4
Net Charge0
Average Mass196.122
Monoisotopic Mass196.02325
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)
InChIKeyVRZJGNXBSRQZGM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
xanthine-8-carboxylic acid (CHEBI:30881) has functional parent xanthine (CHEBI:15318)
xanthine-8-carboxylic acid (CHEBI:30881) is a purinemonocarboxylic acid (CHEBI:38667)
xanthine-8-carboxylic acid (CHEBI:30881) is conjugate acid of xanthine-8-carboxylate (CHEBI:16806)
Incoming Relation(s)
xanthine-8-carboxylate (CHEBI:16806) is conjugate base of xanthine-8-carboxylic acid (CHEBI:30881)
IUPAC Name 
2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylic acid
Manual XrefsDatabases
C03314KEGG COMPOUND