Statements (47)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:CASNumber |
58-08-2
|
| gptkbp:charge |
0
|
| gptkbp:form |
C8H10N4O2
|
| gptkbp:foundIn |
gptkb:guarana
gptkb:café gptkb:yerba_mate cocoa cola nuts |
| gptkbp:hasInChIKey |
RYYVLZVUVIJVGH-UHFFFAOYSA-N
|
| gptkbp:hasRole |
gptkb:food
gptkb:methylxanthine alkaloid recreational drug stimulant diuretic adenosine receptor antagonist plant metabolite neurotransmitter agent vasoconstrictor agent |
| gptkbp:hasSMILES |
Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
| gptkbp:heldBy |
gptkb:methylxanthine
substance abuse natural product metabolite tertiary amine purine derivative xanthine derivative imide organic heteropentacyclic compound purine alkaloid |
| https://www.w3.org/2000/01/rdf-schema#label |
CHEBI:30713
|
| gptkbp:is_tautomer_of |
CHEBI:27732
|
| gptkbp:isConjugateBaseOf |
CHEBI:33838
CHEBI:33839 |
| gptkbp:IUPACName |
1,3,7-Trimethylpurine-2,6-dione
|
| gptkbp:KEGGID |
C07481
|
| gptkbp:mass |
194.080375 g/mol
|
| gptkbp:metabolism |
gptkb:Paraxanthine
gptkb:Theophylline Theobromine |
| gptkbp:name |
caffeine
|
| gptkbp:PubChem_CID |
gptkb:CHEBI:30713
2519 DB00201 |
| gptkbp:bfsParent |
gptkb:triphenylphosphine
|
| gptkbp:bfsLayer |
7
|