CHEBI:62208 - 3-methyl-7H-xanthine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-methyl-7H-xanthine
ChEBI ASCII Name 3-methyl-7H-xanthine
Definition A 3-methylxanthine tautomer where the imidazole proton is located at the 7-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
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 Cn1c2nc[nH]c2c(=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-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 3-methyl-9H-xanthine (CHEBI:62207) is tautomer of 3-methyl-7H-xanthine (CHEBI:62208)
Synonyms Sources
3,7-dihydro-3-methyl-1H-purine-2,6-dione ChEBI
3-methyl-3,7(9)-dihydro-purine-2,6-dione ChEBI
3-methylxanthine UniProt
3-methylxanthine ChEBI
N1-demethyltheophylline ChEBI
Manual Xrefs Databases
HMDB0001886 HMDB
View more database links
Registry Numbers Types Sources
1076-22-8 CAS Registry Number KEGG COMPOUND
180944 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10411473 PubMed citation Europe PMC
11719727 PubMed citation Europe PMC
14681347 PubMed citation Europe PMC
16870158 PubMed citation Europe PMC
18621927 PubMed citation Europe PMC
20214401 PubMed citation Europe PMC
20406814 PubMed citation Europe PMC
7735255 PubMed citation Europe PMC
87994895 PubMed citation Europe PMC
9127436 PubMed citation Europe PMC
9517388 PubMed citation Europe PMC
9661016 PubMed citation Europe PMC
Last Modified
23 October 2015