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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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> Main
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
Supplier Information
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Read full article at Wikipedia
Formula
C7H8N4O2
Net Charge
0
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.
View more via 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 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-1
H
-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
Manual Xrefs
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
Types
Sources
10416066
PubMed citation
Europe PMC
10572151
PubMed citation
Europe PMC
10593655
PubMed citation
Europe PMC
10877011
PubMed citation
Europe PMC
11090584
PubMed citation
Europe PMC
1128545
PubMed citation
Europe PMC
12110375
PubMed citation
Europe PMC
16870158
PubMed citation
Europe PMC
17655324
PubMed citation
Europe PMC
18621927
PubMed citation
Europe PMC
20004571
PubMed citation
Europe PMC
20614853
PubMed citation
Europe PMC
20853468
PubMed citation
Europe PMC
21380987
PubMed citation
Europe PMC
22770225
PubMed citation
Europe PMC
2882985
PubMed citation
Europe PMC
3371146
PubMed citation
Europe PMC
3798364
PubMed citation
Europe PMC
7920690
PubMed citation
Europe PMC
7977734
PubMed citation
Europe PMC
8529334
PubMed citation
Europe PMC
9920286
PubMed citation
Europe PMC
Last Modified
25 February 2016