Statements (49)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:CASNumber |
58-08-2
|
| gptkbp:charge |
0
|
| gptkbp:foundIn |
gptkb:guarana
gptkb:café cocoa cola nuts |
| gptkbp:has_functional_parent |
purine
|
| gptkbp:has_tautomer |
CHEBI:50697
|
| gptkbp:hasInChIKey |
RYYVLZVUVIJVGH-UHFFFAOYSA-N
|
| gptkbp:hasMolecularFormula |
C8H10N4O2
|
| gptkbp:hasRole |
gptkb:food
gptkb:methylxanthine gptkb:Daphnia_magna_metabolite antioxidant antagonist alkaloid recreational drug stimulant diuretic adenosine receptor antagonist environmental contaminant Escherichia coli metabolite human metabolite mouse metabolite xenobiotic pollutant Saccharomyces cerevisiae metabolite plant metabolite neurotransmitter agent vasoconstrictor agent food contaminant |
| gptkbp:hasSMILES |
Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
| https://www.w3.org/2000/01/rdf-schema#label |
CHEBI:2719
|
| gptkbp:isConjugateBaseOf |
CHEBI:27344
CHEBI:27345 |
| gptkbp:IUPACName |
gptkb:1,3,7-trimethylpurine-2,6-dione
|
| gptkbp:KEGGID |
C07481
|
| gptkbp:mass |
194.080375 g/mol
|
| gptkbp:MeSH_ID |
D002110
|
| gptkbp:monoisotopic_mass |
194.08038
|
| gptkbp:name |
caffeine
|
| gptkbp:PubChem_CID |
2719
2519 DB00201 CHEMBL113 |
| gptkbp:UNII |
3G6A5W338E
|
| gptkbp:bfsParent |
gptkb:angiotensin_II
|
| gptkbp:bfsLayer |
6
|