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| 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 | Cn1cnc2n(C)c(=O)n(C)c(=O)c12 |
| #reac | |
|---|---|
| Distinct reactions in my sandbox | 0 |
| Distinct generic reactions in MNXref | 26 |
| Distinct compatimentalized reactions in models | 0 |
| Identifier | Description |
|---|---|
| keggC:C07481 sabiorkM:9586 | Caffeine 1,3,7-Trimethylxanthine |
| chebi:22982 chebi:3295 chebi:41472 hmdb:HMDB01847 keggC:M_C07481 keggD:M_D00528 seedM:M_cpd04654 | secondary/obsolete/fantasy identifier |
| metacycM:1-3-7-TRIMETHYLXANTHINE | caffeine 1,3,7-trimethylxanthine |
| 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 Passauer brand OF caffeine Percoffedrinol N Percutaféine Pierre fabre brand OF caffeine Propoxyphene Quick-pep Republic drug brand OF caffeine Seid brand OF caffeine Teina Thein Theine Thompson brand 1 OF caffeine Thompson brand 2 OF caffeine Vivarin caffeine no Doz |
| keggD:D00528 | Caffeine (USP) Anhydrous caffeine (JP17) Anhydrous caffeine (TN) Respia (TN) |
| envipath:...7bc90b829e1c | Caffeine |
| chebi:27732 reactome:R-ALL-3296390 reactome:R-ALL-40727 | 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 |
| seedM:cpd04654 | Caffeine 1,3,7-Trimethylxanthine 1,3,7-trimethylxanthine caffeine |
| MNXM90459 | is deprecated and replaced by this entry |
