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CHEBI:48517 - 7H-xanthine

ChEBI IDCHEBI:48517
ChEBI Name7H-xanthine
Stars
ASCII Name7H-xanthine
DefinitionAn oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.
Last Modified19 September 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC5H4N4O2
Net Charge0
Average Mass152.113
Monoisotopic Mass152.03343
SMILESO=c1nc(=O)c2ncnc2n1
InChIInChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKeyLRFVTYWOQMYALW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
7H-xanthine (CHEBI:48517) is a xanthine (CHEBI:15318)
7H-xanthine (CHEBI:48517) is tautomer of 9H-xanthine (CHEBI:17712)
Incoming Relation(s)
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
XanthineKEGG COMPOUND
Manual XrefsDatabases
C00385KEGG COMPOUND
HMDB0000292HMDB
XANTHINEMetaCyc
DB02134DrugBank
XanthineWikipedia
XANPDBeChem
C00019660KNApSAcK
2153BPDB
Registry NumbersSources
Gmelin:142613Gmelin
Reaxys:8733Reaxys
CAS:69-89-6ChemIDplus
CAS:69-89-6KEGG COMPOUND
Citations