**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

caffeine

Properties Image Occurences in reactions MNX_ID MNXM1375734 #reac in my sandbox 0 in MNXref (generic) 38 in models (compartimentalized) 0 formula C8H10N4O2 charge 0 mass 194.194 reference chebi:27732 InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 SMILES [CH3:1][n:10]1[cH:4][n:9][c:6]2[c:5]1[c:7](=[O:13])[n:12]([CH3:3])[c:8](=[O:14])[n:11]2[CH3:2]

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources

Identifier	Description
reactome:R-ALL-3296390 reactomeM:R-ALL-3296390 reactome:R-ALL-40727 reactomeM:R-ALL-40727 CHEBI:27732 chebi:27732	caffeine 1,3,7-Trimethylxanthine 1,3,7-trimethyl-2,6-dioxopurine 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione 1,3,7-trimethylpurine-2,6-dione 1,3,7-trimethylxanthine 1-methyltheobromine 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion 7-methyltheophylline CAFFEINE Caffeine Coffein Koffein Thein anhydrous caffeine cafeina cafeine guaranine mateina methyltheobromine teina theine
envipath:...7bc90b829e1c envipathM:...7bc90b829e1c	Caffeine
kegg.drug:D00528 keggD:D00528	Caffeine (USP) Anhydrous caffeine (JP18) Anhydrous caffeine (TN) Respia (TN)
hmdb:HMDB0001847	Caffeine 1,3,7-Trimethyl-2,6-dioxopurine 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione 1,3,7-Trimethylpurine-2,6-dione 1,3,7-Trimethylxanthine 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione 1-Methyl-theobromine 1-Methyltheobromine 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione 7-Methyl theophylline 7-Methyltheophylline Anhydrous caffeine Anhydrous caffeine (JP15) Berlin-chemie brand OF caffeine Bristol-myers squibb brand OF caffeine Cafeina Cafeine Caffedrine Coffein Coffeinum N Coffeinum purrum Dexitac Durvitan GlaxoSmithKline brand OF caffeine Guaranine Hycomine Koffein Lanorinal Mateina Merck dura brand OF caffeine Methyltheobromide Methyltheobromine Methylxanthine theophylline Monohydrate caffeine No doz Passauer brand OF caffeine Percoffedrinol N Percutafeine Pierre fabre brand OF caffeine Propoxyphene Quick pep Quick-pep QuickPep Republic drug brand OF caffeine Respia Seid brand OF caffeine Teina Thein Theine Thompson brand 1 OF caffeine Thompson brand 2 OF caffeine Vivarin caffeine
sabiork.compound:9586 sabiorkM:9586 kegg.compound:C07481 keggC:C07481	Caffeine 1,3,7-Trimethylxanthine
seed.compound:cpd04654 seedM:cpd04654	Caffeine 1,3,7-Trimethylxanthine 1,3,7-trimethylxanthine caffeine
vmhM:cfn vmhmetabolite:cfn	Caffeine 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CHEBI:178066 chebi:178066	caffeine-(trimethyl-(13)C3) (13)C3-caffeine 1,3,7-tri((13)C)methylxanthine 1,3,7-tris[((13)C)methyl]-3,7-dihydro-1H-purine-2,6-dione 3,7-tri((13)C)methyl-1H-purine-2,6(3H,7H)-dione caffeine (trimethyl-(13)C3) caffeine-(13)C3 caffeine-trimethyl-(13)C3 methyltheobromine-(13)C3
metacyc.compound:1-3-7-TRIMETHYLXANTHINE metacycM:1-3-7-TRIMETHYLXANTHINE	caffeine 1,3,7-trimethylxanthine
envipath:...d4bfae51c148 envipathM:...d4bfae51c148	compound 0062097
hmdb:HMDB01847 chebi:22982 chebi:3295 chebi:41472 keggC:M_C07481 keggD:M_D00528 seedM:M_cpd04654	secondary/obsolete/fantasy identifier