CHEBI:17712 - 9H-xanthine

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ChEBI Name 9H-xanthine
ChEBI ID CHEBI:17712
ChEBI ASCII Name 9H-xanthine
Definition An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:46377, CHEBI:10059, CHEBI:27317
Supplier Information ZINC000100029384
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Formula C5H4N4O2
Net Charge 0
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]c2[nH]cnc2c(=O)[nH]1
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
fundamental metabolite
Any metabolite produced by all living cells.
(via xanthine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 9H-xanthine (CHEBI:17712) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
9H-xanthine (CHEBI:17712) is a xanthine (CHEBI:15318)
9H-xanthine (CHEBI:17712) is tautomer of 7H-xanthine (CHEBI:48517)
Incoming 3-isobutyl-1-methyl-9H-xanthine (CHEBI:43253) has functional parent 9H-xanthine (CHEBI:17712)
7H-xanthine (CHEBI:48517) is tautomer of 9H-xanthine (CHEBI:17712)
IUPAC Name
3,9-dihydro-1H-purine-2,6-dione
Synonyms Sources
2,6-dihydroxypurine NIST Chemistry WebBook
2,6-dioxo-1,2,3,6-tetrahydropurine ChemIDplus
9H-purine-2,6-(1H,3H)-dione ChemIDplus
purine-2(3H),6(1H)-dione ChemIDplus
Xan CBN
Xanthine KEGG COMPOUND
XANTHINE PDBeChem
xanthine UniProt
Manual Xrefs Databases
2153 BPDB
C00385 KEGG COMPOUND
HMDB0000292 HMDB
XAN PDBeChem
View more database links
Registry Numbers Types Sources
609330 Reaxys Registry Number Reaxys
69-89-6 CAS Registry Number KEGG COMPOUND
69-89-6 CAS Registry Number NIST Chemistry WebBook
69-89-6 CAS Registry Number ChemIDplus
913730 Gmelin Registry Number Gmelin
Citation Type Source
22770225 PubMed citation Europe PMC
Last Modified
19 September 2018