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CHEBI:46814 - 9H-purine-2,6,8-triol

Default Structure
ChEBI IDCHEBI:46814
ChEBI Name9H-purine-2,6,8-triol
Stars
ASCII Name9H-purine-2,6,8-triol
Last Modified21 April 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC5H4N4O3
Net Charge0
Average Mass168.112
Monoisotopic Mass168.02834
SMILESOc1nc(O)c2nc(O)nc2n1
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)
InChIKeyLEHOTFFKMJEONL-UHFFFAOYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
9H-purine-2,6,8-triol (CHEBI:46814) is a uric acid (CHEBI:27226)
9H-purine-2,6,8-triol (CHEBI:46814) is tautomer of 1H-purine-2,6,8-triol (CHEBI:46823)
9H-purine-2,6,8-triol (CHEBI:46814) is tautomer of 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one (CHEBI:46811)
9H-purine-2,6,8-triol (CHEBI:46814) is tautomer of 5,7-dihydro-1H-purine-2,6,8(9H)-trione (CHEBI:49051)
9H-purine-2,6,8-triol (CHEBI:46814) is tautomer of 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775)
9H-purine-2,6,8-triol (CHEBI:46814) is tautomer of 7H-purine-2,6,8-triol (CHEBI:46817)
Incoming Relation(s)
1H-purine-2,6,8-triol (CHEBI:46823) is tautomer of 9H-purine-2,6,8-triol (CHEBI:46814)
2,6-dihydroxy-7,9-dihydro-8H-purin-8-one (CHEBI:46811) is tautomer of 9H-purine-2,6,8-triol (CHEBI:46814)
5,7-dihydro-1H-purine-2,6,8(9H)-trione (CHEBI:49051) is tautomer of 9H-purine-2,6,8-triol (CHEBI:46814)
7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775) is tautomer of 9H-purine-2,6,8-triol (CHEBI:46814)
7H-purine-2,6,8-triol (CHEBI:46817) is tautomer of 9H-purine-2,6,8-triol (CHEBI:46814)
IUPAC Name 
9H-purine-2,6,8-triol
Registry NumbersSources
Beilstein:882687Beilstein