CHEBI:16806 - xanthine-8-carboxylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name xanthine-8-carboxylate
ChEBI ID CHEBI:16806
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:27318, CHEBI:15319
Supplier Information
Download Molfile XML SDF
Formula C6H3N4O4
Net Charge -1
Average Mass 195.11258
Monoisotopic Mass 195.01598
InChI InChI=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
InChIKey VRZJGNXBSRQZGM-UHFFFAOYSA-M
SMILES [O-]C(=O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
ChEBI Ontology
Outgoing 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 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
Synonym Source
xanthine-8-carboxylate UniProt
Manual Xref Database
C03314 KEGG COMPOUND
View more database links
Last Modified
19 July 2014