EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:46826 - 2,6,8-trioxo-3,6,8,9-tetrahydro-2H-purine-1,7-diide

ChEBI IDCHEBI:46826
ChEBI Name2,6,8-trioxo-3,6,8,9-tetrahydro-2H-purine-1,7-diide
Stars
ASCII Name2,6,8-trioxo-3,6,8,9-tetrahydro-2H-purine-1,7-diide
Last Modified10 October 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC5H2N4O3
Net Charge-2
Average Mass166.096
Monoisotopic Mass166.01379
SMILESO=c1nc2nc(=O)[n-]c2c(=O)[n-]1
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-2
InChIKeyLEHOTFFKMJEONL-UHFFFAOYSA-L
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2,6,8-trioxo-3,6,8,9-tetrahydro-2H-purine-1,7-diide (CHEBI:46826) is a urate(2−) (CHEBI:27216)
2,6,8-trioxo-3,6,8,9-tetrahydro-2H-purine-1,7-diide (CHEBI:46826) is conjugate base of 2,6,8-trihydroxypurin-7-ide (CHEBI:46820)
2,6,8-trioxo-3,6,8,9-tetrahydro-2H-purine-1,7-diide (CHEBI:46826) is tautomer of 6-oxo-6,7-dihydro-1H-purine-2,8-diolate (CHEBI:46825)
Incoming Relation(s)
2,6,8-trihydroxypurin-7-ide (CHEBI:46820) is conjugate acid of 2,6,8-trioxo-3,6,8,9-tetrahydro-2H-purine-1,7-diide (CHEBI:46826)
6-oxo-6,7-dihydro-1H-purine-2,8-diolate (CHEBI:46825) is tautomer of 2,6,8-trioxo-3,6,8,9-tetrahydro-2H-purine-1,7-diide (CHEBI:46826)
IUPAC Name 
2,6,8-trioxo-3,6,8,9-tetrahydro-2H-purine-1,7-diide