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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:caffeine
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Accession:CHEBI:27732 term browser browse the term
Definition:A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee.
Synonyms:related_synonym: 1,3,7-trimethyl-2,6-dioxopurine;   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;   3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;   7-methyltheophylline;   Coffein;   Formula=C8H10N4O2;   InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3;   InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N;   Koffein;   SMILES=Cn1cnc2n(C)c(=O)n(C)c(=O)c12;   Thein;   anhydrous caffeine;   cafeina;   cafeine;   guaranine;   mateina;   methyltheobromine;   teina;   theine
 alt_id: CHEBI:22982;   CHEBI:3295;   CHEBI:41472
 xref: Beilstein:17705;   CAS:58-08-2;   DrugBank:DB00201;   Drug_Central:463;   Gmelin:103040;   HMDB:HMDB0001847;   KEGG:C07481;   KEGG:D00528;   KNApSAcK:C00001492;   LINCS:LSM-2026
 xref_mesh: MESH:D002110
 xref: MetaCyc:1-3-7-TRIMETHYLXANTHINE;   PDBeChem:CFF;   PMID:10510174;   PMID:10796597;   PMID:10803761;   PMID:10822912;   PMID:10884512;   PMID:10924888;   PMID:10983026;   PMID:11014293;   PMID:11022879;   PMID:11209966;   PMID:11312039;   PMID:11410911;   PMID:11431501;   PMID:11815511;   PMID:11949272;   PMID:12397877;   PMID:12457274;   PMID:12574990;   PMID:12915014;   PMID:12943586;   PMID:14521986;   PMID:14607010;   PMID:15257305;   PMID:15280431;   PMID:15681408;   PMID:15718055;   PMID:15840517;   PMID:16143823;   PMID:16391865;   PMID:16528931;   PMID:16644114;   PMID:16709440;   PMID:16805851;   PMID:16856769;   PMID:17132260;   PMID:17387608;   PMID:17508167;   PMID:17724925;   PMID:17932622;   PMID:17957400;   PMID:18068204;   PMID:18258404;   PMID:18421070;   PMID:18625110;   PMID:18647558;   PMID:19007524;   PMID:19047957;   PMID:19084078;   PMID:19088793;   PMID:19418355;   PMID:19879252;   PMID:20164568;   PMID:20470411;   PMID:22770225;   PMID:7441110;   PMID:7689104;   PMID:8332255;   PMID:8347173;   PMID:8679661;   PMID:9063686;   PMID:9067318;   PMID:9132918;   PMID:9218278;   Reaxys:17705;   Wikipedia:Caffeine


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caffeine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G RYR1 ryanodine receptor 1 increases activity
multiple interactions
EXP Caffeine results in increased activity of RYR1 protein; Caffeine results in increased activity of RYR1 protein mutant form
Caffeine promotes the reaction [Ryanodine binds to RYR1 protein mutant form]; Caffeine promotes the reaction [Ryanodine binds to RYR1 protein]; Dantrolene inhibits the reaction [Caffeine promotes the reaction [Ryanodine binds to RYR1 protein mutant form]]; Dantrolene inhibits the reaction [Caffeine promotes the reaction [Ryanodine binds to RYR1 protein]]; Dantrolene inhibits the reaction [Caffeine results in increased activity of RYR1 protein mutant form]; Dantrolene inhibits the reaction [Caffeine results in increased activity of RYR1 protein]
CTD PMID:11278295 NCBI chr 6:47,339,759...47,458,457 JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 879
    role 859
      biological role 859
        xenobiotic 113
          caffeine 1
            8-(3-chlorostyryl)caffeine 0
            caffeine monohydrate 0
            sodium caffeine benzoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 879
    subatomic particle 864
      composite particle 864
        hadron 864
          baryon 864
            nucleon 864
              atomic nucleus 864
                atom 864
                  main group element atom 854
                    p-block element atom 851
                      carbon group element atom 827
                        carbon atom 826
                          organic molecular entity 826
                            organic molecule 738
                              organic cyclic compound 647
                                organic heterocyclic compound 362
                                  organic heteropolycyclic compound 251
                                    organic heterobicyclic compound 99
                                      imidazopyrimidine 23
                                        purines 23
                                          aminopurine 17
                                            2-aminopurines 4
                                              guanine 4
                                                xanthine 1
                                                  methylxanthine 1
                                                    trimethylxanthine 1
                                                      caffeine 1
                                                        8-(3-chlorostyryl)caffeine 0
                                                        caffeine monohydrate 0
                                                        sodium caffeine benzoate 0
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