Preferred Name |
caffeine |
|
Synonyms |
1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione CAFFEINE Caffeine 1-methyltheobromine 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion cafeina teina 1,3,7-trimethylpurine-2,6-dione 1,3,7-trimethyl-2,6-dioxopurine InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N mateina cafeine Koffein C8H10N4O2 Thein theine InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 1,3,7-trimethylxanthine Cn1cnc2n(C)c(=O)n(C)c(=O)c12 methyltheobromine guaranine 7-methyltheophylline anhydrous caffeine Coffein |
|
Definitions |
A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_27732 |
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database_cross_reference |
CiteXplore:7441110 Beilstein:17705 CiteXplore:19007524 MetaCyc:1-3-7-TRIMETHYLXANTHINE CiteXplore:11022879 CiteXplore:15718055 CiteXplore:15257305 CiteXplore:9132918 Reaxys:17705 DrugBank:DB00201 CiteXplore:19879252 CiteXplore:12574990 CiteXplore:11815511 CiteXplore:9218278 CiteXplore:14607010 CiteXplore:12943586 CiteXplore:8347173 CiteXplore:18258404 CiteXplore:19088793 CiteXplore:16709440 CiteXplore:8679661 CiteXplore:10884512 KEGG COMPOUND:58-08-2 CiteXplore:10983026 CiteXplore:12915014 CiteXplore:18647558 CiteXplore:8332255 CiteXplore:16805851 CiteXplore:17387608 NIST Chemistry WebBook:58-08-2 Wikipedia:Caffeine CiteXplore:10510174 CiteXplore:16143823 CiteXplore:7689104 CiteXplore:11209966 HMDB:HMDB01847 CiteXplore:9067318 CiteXplore:19084078 CiteXplore:22770225 CiteXplore:20470411 ChemIDplus:58-08-2 PDBeChem:CFF CiteXplore:16856769 CiteXplore:16644114 CiteXplore:17932622 Gmelin:103040 CiteXplore:9063686 CiteXplore:11410911 CiteXplore:14521986 CiteXplore:10803761 CiteXplore:19047957 KEGG DRUG:D00528 CiteXplore:17508167 CiteXplore:18421070 KEGG COMPOUND:C07481 CiteXplore:18625110 CiteXplore:11431501 CiteXplore:11949272 CiteXplore:15681408 CiteXplore:17132260 |
|
definition |
A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. |
|
has_alternative_id |
CHEBI:22982 CHEBI:3295 CHEBI:41472 |
|
has_exact_synonym |
1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione CAFFEINE Caffeine |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
1-methyltheobromine 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion cafeina teina 1,3,7-trimethylpurine-2,6-dione 1,3,7-trimethyl-2,6-dioxopurine InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N mateina cafeine Koffein C8H10N4O2 Thein theine InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 1,3,7-trimethylxanthine Cn1cnc2n(C)c(=O)n(C)c(=O)c12 methyltheobromine guaranine 7-methyltheophylline anhydrous caffeine Coffein |
|
id |
CHEBI:27732 |
|
imported from | ||
label |
caffeine |
|
notation |
CHEBI:27732 |
|
prefixIRI |
CHEBI:27732 |
|
prefLabel |
caffeine |
|
subClassOf |