CHEBI:48517 - 7H-xanthine

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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 0
Average Mass 152.11102
Monoisotopic Mass 152.033
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 )
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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
Manual Xrefs Databases
2153 BPDB
C00019660 KNApSAcK
C00385 KEGG COMPOUND
DB02134 DrugBank
HMDB0000292 HMDB
XAN PDBeChem
Xanthine Wikipedia
XANTHINE MetaCyc
View more database links
Registry Numbers Types Sources
142613 Gmelin Registry Number Gmelin
69-89-6 CAS Registry Number ChemIDplus
8733 Beilstein Registry Number Beilstein
8733 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
19 September 2018