CHEBI:62207 - 3-methyl-9H-xanthine

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ChEBI Name 3-methyl-9H-xanthine
ChEBI ASCII Name 3-methyl-9H-xanthine
Definition A 3-methylxanthine tautomer where the imidazole proton is located at the 9-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H6N4O2
Net Charge 0
Average Mass 166.13740
Monoisotopic Mass 166.04908
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)
SMILES Cn1c2[nH]cnc2c(=O)[nH]c1=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
(via 3-methylxanthine )
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
(via 3-methylxanthine )
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
(via 3-methylxanthine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-methyl-9H-xanthine (CHEBI:62207) has role metabolite (CHEBI:25212)
3-methyl-9H-xanthine (CHEBI:62207) is a 3-methylxanthine (CHEBI:62205)
3-methyl-9H-xanthine (CHEBI:62207) is tautomer of 3-methyl-7H-xanthine (CHEBI:62208)
Incoming 3-methyl-7H-xanthine (CHEBI:62208) is tautomer of 3-methyl-9H-xanthine (CHEBI:62207)
Synonyms Sources
2-oxo-3-methylhypoxanthine ChEBI
3 MX ChemIDplus
3,9-dihydro-3-methyl-1H-purine-2,6-dione ChEBI
3-methyl-3,7(9)-dihydro-purine-2,6-dione ChEBI
3-methyl-3,9-dihydro-2H,6H-purine-2,6-dione ChEBI
3-Methylxanthine ChemIDplus
Manual Xrefs Databases
RXN-11546 MetaCyc
View more database links
Registry Numbers Types Sources
1076-22-8 CAS Registry Number ChemIDplus
612099 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10579878 PubMed citation Europe PMC
11465391 PubMed citation Europe PMC
1676739 PubMed citation Europe PMC
2576447 PubMed citation Europe PMC
7503772 PubMed citation Europe PMC
7632164 PubMed citation Europe PMC
8641328 PubMed citation Europe PMC
Last Modified
25 May 2011