CHEBI:25858 - 1,7-dimethylxanthine

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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
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Formula C7H8N4O2
Net Charge 0
Average Mass 180.16400
Monoisotopic Mass 180.065
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
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Roles Classification
Biological Role(s): 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).
human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
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.
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ChEBI Ontology
Outgoing 1,7-dimethylxanthine (CHEBI:25858) has role central nervous system stimulant (CHEBI:35337)
1,7-dimethylxanthine (CHEBI:25858) has role human blood serum metabolite (CHEBI:85234)
1,7-dimethylxanthine (CHEBI:25858) has role human xenobiotic metabolite (CHEBI:76967)
1,7-dimethylxanthine (CHEBI:25858) has role mouse metabolite (CHEBI:75771)
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
HMDB0001860 HMDB
LSM-20962 LINCS
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
25 February 2016