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1,7-dimethylxanthine (CHEBI:25858)

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ChEBI Name 1,7-dimethylxanthine
ChEBI ID CHEBI:25858
Definition A dimethylxanthine having the two methyl groups located at positions 1 and 7. It is a metabolite of caffeine and theobromine in animals.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34067
Supplier Information
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Formula Source
C7H8N4O2 ChEBI
Net Charge 0
Average Mass 180.16400
InChI
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
InChIKey
QUNWUDVFRNGTCO-UHFFFAOYSA-N
SMILES
Cn1cnc2[nH]c(=O)n(C)c(=O)c12
Roles Classification
Biological Role(s): 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.
(via alkaloid )
Application(s): central nervous system stimulant
Any drug that enhances the activity of the central nervous system.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing 1,7-dimethylxanthine (CHEBI:25858) has role central nervous system stimulant (CHEBI:35337)
1,7-dimethylxanthine (CHEBI:25858) has role human xenobiotic metabolite (CHEBI:76967)
1,7-dimethylxanthine (CHEBI:25858) is a dimethylxanthine (CHEBI:23818)
IUPAC Name
1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Synonyms Sources
1,7-Dimethylxanthine KEGG COMPOUND
1,7-dimethylxanthine UniProt
3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione ChemIDplus
p-Xanthine ChemIDplus
Paraxanthine KEGG COMPOUND
Database Links Databases
1-7-DIMETHYLXANTHINE MetaCyc
C13747 KEGG COMPOUND
HMDB01860 HMDB
Paraxanthine Wikipedia
View more database links
Registry Numbers Types Sources
197907 Reaxys Registry Number Reaxys
611-59-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
08 September 2014

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