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more general categories information about this item 01. Food Nutrient & Dietary Chemicals 01. Food Nutrient & Dietary Chemicals Nitrogen components (43) Nitrogen heterocycle components [ChEBI:38101] (5) purines [ChEBI:26401] (4) caffeine [ChEBI:27732] (1) 03. Biological Effects of Specific Chemicals 03. Biological Effects of Specific Chemicals biochemical uses [CHEBI:52206] (3306) enzyme inhibitor [CHEBI:23924] (825) phosphodiesterase inhibitor [CHEBI:50218] (17) caffeine [CHEBI:27732] (1) metabolite [CHEBI:25212] (2692) secondary metabolite [CHEBI:26619] (2225) caffeine [CHEBI:27732] (1) biophysical uses [CHEBI:52208] (136) membrane transport modulator [CHEBI:38632] (122) calcium channel modulator [CHEBI:38808] (32) ryanodine receptor modulator [CHEBI:38809] (6) caffeine [CHEBI:27732] (1) aetiopathogenetic uses [CHEBI:52209] (178) genotoxin [CHEBI:50902] (78) mutagen [CHEBI:25435] (74) caffeine [CHEBI:27732] (1) pharmacological uses [CHEBI:52210] (736) antagonist [CHEBI:48706] (126) adenosine receptor antagonist [CHEBI:71232] (8) caffeine [CHEBI:27732] (1) 04. Bioactive Capabilities of Specific Chemicals 04. Bioactive Capabilities of Specific Chemicals Oxidoreductases [EC:1] (1697) Acting on CH or CH2 groups [EC:1.17] (49) With a quinone or similar compound as acceptor [EC:1.17.5] (9) Caffeine dehydrogenase [EC:1.17.5.2] (5) caffeine [CHEBI:27732] (1) Transferases [EC:2] (1441) Transferring one-carbon groups [EC:2.1] (318) Methyltransferases [EC:2.1.1] (279) Caffeine synthase [EC:2.1.1.160] (6) caffeine [CHEBI:27732] (1) 05. Industrial Uses 05. Industrial Uses pharmaceutical [CHEBI:52217] (1978) drug [CHEBI:23888] (1930) central nervous system drug [CHEBI:35470] (217) central nervous system stimulant [CHEBI:35337] (15) caffeine [CHEBI:27732] (1) 08. Chemical Category 08. Chemical Category main group molecular entity [CHEBI:33579] (25650) p-block molecular entity [CHEBI:33675] (25343) pnictogen molecular entity [CHEBI:33302] (10027) nitrogen molecular entity [CHEBI:51143] (7930) organonitrogen compound [CHEBI:35352] (6705) alkaloid [CHEBI:22315] (473) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) carbon group molecular entity [CHEBI:33582] (23847) organic molecular entity [CHEBI:50860] (23769) heteroorganic entity [CHEBI:33285] (15197) organic heterocyclic compound [CHEBI:24532] (5243) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organonitrogen compound [CHEBI:35352] (6705) alkaloid [CHEBI:22315] (473) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organic molecule [CHEBI:72695] (11399) organic cyclic compound [CHEBI:33832] (7633) organic heterocyclic compound [CHEBI:24532] (5243) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organic aromatic compound [CHEBI:33659] (3593) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) polyatomic entity [CHEBI:36357] (18777) molecule [CHEBI:25367] (11520) cyclic compound [CHEBI:33595] (7817) polycyclic compound [CHEBI:33635] (4078) heteropolycyclic compound [CHEBI:33671] (2613) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) bicyclic compound [CHEBI:33636] (1511) heterobicyclic compound [CHEBI:33672] (1315) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) aromatic compound [CHEBI:33655] (3799) organic aromatic compound [CHEBI:33659] (3593) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organic cyclic compound [CHEBI:33832] (7633) organic heterocyclic compound [CHEBI:24532] (5243) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organic aromatic compound [CHEBI:33659] (3593) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) heterocyclic compound [CHEBI:5686] (5275) organic heterocyclic compound [CHEBI:24532] (5243) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) heteropolycyclic compound [CHEBI:33671] (2613) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) heterobicyclic compound [CHEBI:33672] (1315) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organic molecule [CHEBI:72695] (11399) organic cyclic compound [CHEBI:33832] (7633) organic heterocyclic compound [CHEBI:24532] (5243) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) organic aromatic compound [CHEBI:33659] (3593) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) caffeine [CHEBI:27732] (1) ChEBI Compound Accession Identifier: [CHEBI:27732] ChEBI Compound Description: A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. ChEBI Compound Identification Number: 27732 ChEBI InChI Value: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 ChEBI InChIKey Value: RYYVLZVUVIJVGH-UHFFFAOYSA-N ChEBI Compound Name: caffeine ChEBI SMILES Value: Cn1cnc2n(C)c(=O)n(C)c(=O)c12 ChEBI Substance ID: 8144467 ChEBI URL: ChEBI:27732 ChemSpider ID: NS Ontomatica Chemical Accession Key (OnChAKey): RYYVLZVUVIJVGH_UHFFFAOYSA_N_000_000000 PubChem Compound ID: 2519
