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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: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. 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). 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 |
|---|