EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI Ontology
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