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CHEBI:48991 - 7-methylxanthine
| Formula | C6H6N4O2 |
| Net Charge | 0 |
| Average Mass | 166.140 |
| Monoisotopic Mass | 166.04908 |
| SMILES | Cn1cnc2nc(=O)nc(=O)c21 |
| InChI | InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12) |
| InChIKey | PFWLFWPASULGAN-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Theobroma cacao (ncbitaxon:3641) | - | PubMed (18068204) |
| Roles Classification |
|---|
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-methylxanthine (CHEBI:48991) has functional parent 7H-xanthine (CHEBI:48517) |
| 7-methylxanthine (CHEBI:48991) has role human xenobiotic metabolite (CHEBI:76967) |
| 7-methylxanthine (CHEBI:48991) has role mouse metabolite (CHEBI:75771) |
| 7-methylxanthine (CHEBI:48991) has role plant metabolite (CHEBI:76924) |
| 7-methylxanthine (CHEBI:48991) is a oxopurine (CHEBI:25810) |
| 7-methylxanthine (CHEBI:48991) is a purine alkaloid (CHEBI:26385) |
| IUPAC Name |
|---|
| 7-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Synonyms | Source |
|---|---|
| 3,7-dihydro-7-methyl-1H-purine-2,6-dione | NIST Chemistry WebBook |
| 7-Methylxanthin | ChemIDplus |
| Heteroxanthin | ChemIDplus |
| Heteroxanthine | ChemIDplus |
| UniProt Name | Source |
|---|---|
| 7-methylxanthine | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 7-METHYLXANTHINE | MetaCyc |
| C00007326 | KNApSAcK |
| C16353 | KEGG COMPOUND |
| HMDB0001991 | HMDB |
| Citations |
|---|