7H-xanthine (CHEBI:48517)

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ChEBI Name	7H-xanthine

ChEBI ID	CHEBI:48517

ChEBI ASCII Name	7H-xanthine

Definition	An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C5H4N4O2

Net Charge

Average Mass

152.11102

Monoisotopic Mass

152.03343

InChI

InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

InChIKey

LRFVTYWOQMYALW-UHFFFAOYSA-N

SMILES

O=c1[nH]c2nc[nH]c2c(=O)[nH]1

Roles Classification
Biological Role(s):	fundamental metabolite Any metabolite produced by all living cells. (via xanthine )

ChEBI Ontology
Outgoing	7H-xanthine (CHEBI:48517) is a xanthine (CHEBI:15318) 7H-xanthine (CHEBI:48517) is tautomer of 9H-xanthine (CHEBI:17712)

Incoming	1-methyl-7H-xanthine (CHEBI:68444) has functional parent 7H-xanthine (CHEBI:48517) 3-isobutyl-1-methyl-7H-xanthine (CHEBI:34795) has functional parent 7H-xanthine (CHEBI:48517) 7-methylxanthine (CHEBI:48991) has functional parent 7H-xanthine (CHEBI:48517) doxofylline (CHEBI:94714) has functional parent 7H-xanthine (CHEBI:48517) DPCPX (CHEBI:73282) has functional parent 7H-xanthine (CHEBI:48517) linagliptin (CHEBI:68610) has functional parent 7H-xanthine (CHEBI:48517) 9H-xanthine (CHEBI:17712) is tautomer of 7H-xanthine (CHEBI:48517)

IUPAC Name

3,7-dihydro-1H-purine-2,6-dione

Synonym	Source
Xanthine	KEGG COMPOUND

Citation	Type	Source
22770225	PubMed citation	Europe PMC

Last Modified

19 September 2018