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CHEBI:62208 - 3-methyl-7H-xanthine
| Formula | C6H6N4O2 |
| Net Charge | 0 |
| Average Mass | 166.140 |
| Monoisotopic Mass | 166.04908 |
| SMILES | Cn1c(=O)nc(=O)c2ncnc21 |
| InChI | InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) |
| InChIKey | GMSNIKWWOQHZGF-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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) |
| 3-methyl-7H-xanthine (CHEBI:62208) has role metabolite (CHEBI:25212) |
| 3-methyl-7H-xanthine (CHEBI:62208) is a 3-methylxanthine (CHEBI:62205) |
| 3-methyl-7H-xanthine (CHEBI:62208) is tautomer of 3-methyl-9H-xanthine (CHEBI:62207) |
| Incoming Relation(s) |
| 3-methyl-9H-xanthine (CHEBI:62207) is tautomer of 3-methyl-7H-xanthine (CHEBI:62208) |
| IUPAC Name |
|---|
| 3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Synonyms | Source |
|---|---|
| 3-methylxanthine | ChEBI |
| N1-demethyltheophylline | ChEBI |
| 3-methyl-3,7(9)-dihydro-purine-2,6-dione | ChEBI |
| 3,7-dihydro-3-methyl-1H-purine-2,6-dione | ChEBI |
| UniProt Name | Source |
|---|---|
| 3-methylxanthine | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 3-METHYLXANTHINE | MetaCyc |
| C16357 | KEGG COMPOUND |
| HMDB0001886 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:180944 | Reaxys |
| CAS:1076-22-8 | KEGG COMPOUND |
| Citations |
|---|