CHEBI:17775 - 7,9-dihydro-1H-purine-2,6,8(3H)-trione

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ChEBI Name 7,9-dihydro-1H-purine-2,6,8(3H)-trione
ChEBI ID CHEBI:17775
ChEBI ASCII Name 7,9-dihydro-1H-purine-2,6,8(3H)-trione
Definition An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:46455, CHEBI:9885
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Formula C5H4N4O3
Net Charge 0
Average Mass 168.11042
Monoisotopic Mass 168.02834
InChI InChI=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)
InChIKey LEHOTFFKMJEONL-UHFFFAOYSA-N
SMILES O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562) See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via uric acid )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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ChEBI Ontology
Outgoing 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775) has role Escherichia coli metabolite (CHEBI:76971)
7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775) has role human metabolite (CHEBI:77746)
7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775) has role mouse metabolite (CHEBI:75771)
7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775) is a uric acid (CHEBI:27226)
7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775) is tautomer of 1H-purine-2,6,8-triol (CHEBI:46823)
7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775) is tautomer of 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one (CHEBI:46811)
7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775) is tautomer of 5,7-dihydro-1H-purine-2,6,8(9H)-trione (CHEBI:49051)
7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775) is tautomer of 7H-purine-2,6,8-triol (CHEBI:46817)
7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775) is tautomer of 9H-purine-2,6,8-triol (CHEBI:46814)
Incoming 1,3,7,9-tetramethyluric acid (CHEBI:139388) has functional parent 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775)
1,3-dimethyluric acid (CHEBI:68447) has functional parent 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775)
1,7-dimethyluric acid (CHEBI:68449) has functional parent 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775)
1-methyluric acid (CHEBI:68441) has functional parent 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775)
3,7-dimethyluric acid (CHEBI:68531) has functional parent 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775)
1H-purine-2,6,8-triol (CHEBI:46823) is tautomer of 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775)
2,6-dihydroxy-7,9-dihydro-8H-purin-8-one (CHEBI:46811) is tautomer of 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775)
5,7-dihydro-1H-purine-2,6,8(9H)-trione (CHEBI:49051) is tautomer of 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775)
7H-purine-2,6,8-triol (CHEBI:46817) 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 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775)
IUPAC Name
7,9-dihydro-1H-purine-2,6,8(3H)-trione
Synonyms Sources
2,6,8-trioxopurine NIST Chemistry WebBook
2,6,8-trioxypurine NIST Chemistry WebBook
purine-2,6,8(1H,3H,9H)-trione NIST Chemistry WebBook
Urate KEGG COMPOUND
urate UniProt
Uric acid KEGG COMPOUND
URIC ACID PDBeChem
Manual Xrefs Databases
C00007301 KNApSAcK
C00366 KEGG COMPOUND
DB01696 DrugBank
HMDB0000289 HMDB
URATE MetaCyc
URC PDBeChem
Uric_acid Wikipedia
View more database links
Registry Numbers Types Sources
156158 Reaxys Registry Number Reaxys
241332 Gmelin Registry Number Gmelin
69-93-2 CAS Registry Number KEGG COMPOUND
69-93-2 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
24 September 2020