EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:17712 - 9H-xanthine
| Formula | C5H4N4O2 |
| Net Charge | 0 |
| Average Mass | 152.113 |
| Monoisotopic Mass | 152.03343 |
| SMILES | O=c1nc(=O)c2ncnc2n1 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Roles Classification |
|---|
| Biological Roles: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| Xanthine | KEGG COMPOUND |
| Xan | IUBMB |
| 2,6-dioxo-1,2,3,6-tetrahydropurine | ChemIDplus |
| 9H-purine-2,6-(1H,3H)-dione | ChemIDplus |
| purine-2(3H),6(1H)-dione | ChemIDplus |
| 2,6-dihydroxypurine | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| xanthine | UniProt |
| Citations |
|---|