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CHEBI:46821 - 6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate

ChEBI IDCHEBI:46821
ChEBI Name6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate
Stars
ASCII Name6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate
Last Modified10 October 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC5H3N4O3
Net Charge-1
Average Mass167.104
Monoisotopic Mass167.02106
SMILESO=c1nc2nc([O-])nc(=O)c2n1
InChIInChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)/p-1
InChIKeyLEHOTFFKMJEONL-UHFFFAOYSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate (CHEBI:46821) is a urate(1−) (CHEBI:30848)
6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate (CHEBI:46821) is tautomer of 2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-olate (CHEBI:46824)
6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate (CHEBI:46821) is tautomer of 2,6,8-trihydroxypurin-7-ide (CHEBI:46820)
6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate (CHEBI:46821) is tautomer of 2,8-dihydroxy-1H-purin-6-olate (CHEBI:46822)
Incoming Relation(s)
2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-olate (CHEBI:46824) is tautomer of 6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate (CHEBI:46821)
2,6,8-trihydroxypurin-7-ide (CHEBI:46820) is tautomer of 6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate (CHEBI:46821)
2,8-dihydroxy-1H-purin-6-olate (CHEBI:46822) is tautomer of 6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate (CHEBI:46821)
IUPAC Name 
6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate
Registry NumbersSources
Beilstein:7814420Beilstein
Gmelin:1484534Gmelin