|
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:recreational_drug
gptkb:stimulant
gptkb:adenosine_receptor_antagonist
gptkb:food
gptkb:methylxanthine
gptkb:alkaloid
diuretic
plant metabolite
neurotransmitter agent
vasoconstrictor agent
|
|
gptkbp:hasSMILES
|
Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
|
gptkbp:heldBy
|
gptkb:metabolite
gptkb:natural_product
gptkb:substance_abuse
gptkb:methylxanthine
gptkb:xanthine_derivative
gptkb:tertiary_amine
gptkb:purine_derivative
imide
organic heteropentacyclic compound
purine alkaloid
|
|
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
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
CHEBI:30713
|