Terminology Service for NFDI4Health
caffeine
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http://purl.obolibrary.org/obo/CHEBI_27732
A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee.
Term info
Label
caffeine
Synonyms
- 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
- CAFFEINE
- Caffeine
- caffeine
Subsets
3_STAR
charge
0
formula
C8H10N4O2
has alternative id
CHEBI:3295, CHEBI:41472, CHEBI:22982
has obo namespace
chebi_ontology
has related synonym
1-methyltheobromine, anhydrous caffeine, cafeina, 1,3,7-Trimethylxanthine, 1,3,7-trimethyl-2,6-dioxopurine, Thein, Coffein, mateina, Koffein, methyltheobromine, 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion, theine, guaranine, 1,3,7-trimethylpurine-2,6-dione, 1,3,7-trimethylxanthine, cafeine, teina, 7-methyltheophylline
id
CHEBI:27732
inchi
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
inchikey
RYYVLZVUVIJVGH-UHFFFAOYSA-N
mass
194.19076
monoisotopicmass
194.08038
smiles
Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Term relations
Subclass of:
- trimethylxanthine
- has role some central nervous system stimulant
- has role some mouse metabolite
- has role some psychotropic drug
- has role some adenosine A2A receptor antagonist
- has role some food additive
- has role some adenosine receptor antagonist
- has role some EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
- has role some ryanodine receptor agonist
- has role some xenobiotic
- has role some human blood serum metabolite
- has role some EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
- has role some adjuvant
- has role some diuretic
- has role some mutagen
- has role some ryanodine receptor modulator
- has role some environmental contaminant
- has role some plant metabolite
- has role some fungal metabolite