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

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Formula

C7H8N4O2

Net Charge

Average Mass

180.16400

Monoisotopic Mass

180.06473

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:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606)	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.

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

Last Modified

25 February 2016