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caffeine

Properties
MNX_IDMNXM680
formulaC8H10N4O2
charge0
mass194.19076
referencechebi:27732
Image of MNXM680
InChIKeyRYYVLZVUVIJVGH-UHFFFAOYSA-N
InChIInChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
SMILESCn1cnc2n(C)c(=O)n(C)c(=O)c12

Occurences in reactions

#reac
Distinct reactions in my sandbox 0
Distinct generic reactions in MNXref26
Distinct compatimentalized reactions in models0

Similar chemical compounds in external resources
IdentifierDescription
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
MNXM90459is deprecated and replaced by this entry