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

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

ChEBI ID	CHEBI:17775
ChEBI Name	7,9-dihydro-1H-purine-2,6,8(3H)-trione
Stars
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.
Secondary ChEBI IDs	CHEBI:9885, CHEBI:46455
Last Modified	24 September 2020
Downloads	Molfile

Formula	C5H4N4O3
Net Charge	0
Average Mass	168.112
Monoisotopic Mass	168.02834
SMILES	O=c1nc(=O)c2nc(=O)nc2n1
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

Wikipedia

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	-	DOI (10.1038/nbt.2488)
	blood serum (BTO:0000133)	MetaboLights (MTBLS90)
Escherichia coli (ncbitaxon:562)	-	PubMed (21988831)
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Biological Roles:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
	1-methyluric acid (CHEBI:68441) 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)
	1,3,7,9-tetramethyluric acid (CHEBI:139388) 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)
	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	Source
Urate	KEGG COMPOUND
Uric acid	KEGG COMPOUND
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
URIC ACID	PDBeChem

UniProt Name	Source
urate	UniProt

Manual Xrefs	Databases
C00366	KEGG COMPOUND
URC	PDBeChem
DB01696	DrugBank
HMDB0000289	HMDB
URATE	MetaCyc
Uric_acid	Wikipedia
C00007301	KNApSAcK

Registry Numbers	Sources
Gmelin:241332	Gmelin
Reaxys:156158	Reaxys
CAS:69-93-2	KEGG COMPOUND
CAS:69-93-2	NIST Chemistry WebBook

Citations