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CHEBI:17712 - 9H-xanthine

ChEBI IDCHEBI:17712
ChEBI Name9H-xanthine
Stars
ASCII Name9H-xanthine
DefinitionAn oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.
Secondary ChEBI IDsCHEBI:10059, CHEBI:27317, CHEBI:46377
Last Modified19 September 2018
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

Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification

ChEBI Ontology
IUPAC Name 
3,9-dihydro-1H-purine-2,6-dione
Synonyms  Source
XanthineKEGG COMPOUND
XanIUBMB
2,6-dioxo-1,2,3,6-tetrahydropurineChemIDplus
9H-purine-2,6-(1H,3H)-dioneChemIDplus
purine-2(3H),6(1H)-dioneChemIDplus
2,6-dihydroxypurineNIST Chemistry WebBook
UniProt Name  Source
xanthineUniProt
Manual XrefsDatabases
C00385KEGG COMPOUND
C00385KEGG COMPOUND
XANPDBeChem
HMDB0000292HMDB
2153BPDB
Registry NumbersSources
Gmelin:913730Gmelin
Reaxys:609330Reaxys
CAS:69-89-6KEGG COMPOUND
CAS:69-89-6ChemIDplus
CAS:69-89-6NIST Chemistry WebBook
Citations