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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: 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:18513215;   PMID:18625110;   PMID:18647558;   PMID:19007524;   PMID:19047957;   PMID:19084078;   PMID:19088793;   PMID:19418355;   PMID:19879252;   PMID:20164568;   PMID:20470411;   PMID:22114686;   PMID:22770225;   PMID:23551936;   PMID:24039592;   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 ATM ATM serine/threonine kinase multiple interactions EXP Caffeine inhibits the reaction [deoxynivalenol results in increased phosphorylation of ATM protein] CTD PMID:38104654 NCBI chr 9:36,620,656...36,759,555
Ensembl chr 9:36,620,657...36,759,552 		JBrowse link
G CCNB1 cyclin B1 multiple interactions EXP Caffeine inhibits the reaction [deoxynivalenol results in decreased expression of CCNB1 protein] CTD PMID:38104654 NCBI chr16:47,338,239...47,348,385
Ensembl chr16:47,338,110...47,348,377 		JBrowse link
G CDC25C cell division cycle 25C multiple interactions EXP Caffeine inhibits the reaction [deoxynivalenol results in decreased expression of CDC25C protein] CTD PMID:38104654 NCBI chr 2:140,289,156...140,323,696
Ensembl chr 2:140,289,115...140,324,425 		JBrowse link
G CDK1 cyclin dependent kinase 1 multiple interactions EXP Caffeine inhibits the reaction [deoxynivalenol results in decreased expression of CDK1 protein] CTD PMID:38104654 NCBI chr14:64,233,945...64,255,290
Ensembl chr14:64,233,987...64,372,197 		JBrowse link
G CHEK2 checkpoint kinase 2 multiple interactions EXP Caffeine inhibits the reaction [deoxynivalenol results in increased phosphorylation of CHEK2 protein] CTD PMID:38104654 NCBI chr14:45,699,833...45,967,350
Ensembl chr14:45,929,715...45,967,290 		JBrowse link
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
Ensembl chr 6:47,343,768...47,458,458 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5164
    role 5131
      biological role 5131
        xenobiotic 171
          caffeine 6
            8-(3-chlorostyryl)caffeine 0
            caffeine monohydrate 0
            sodium caffeine benzoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5164
    subatomic particle 5155
      composite particle 5155
        hadron 5155
          baryon 5155
            nucleon 5155
              atomic nucleus 5155
                atom 5155
                  main group element atom 5127
                    p-block element atom 5124
                      carbon group element atom 5042
                        carbon atom 5041
                          organic molecular entity 5041
                            organic molecule 4990
                              organic cyclic compound 4931
                                organic heterocyclic compound 4720
                                  organic heteropolycyclic compound 4513
                                    organic heterobicyclic compound 147
                                      imidazopyrimidine 42
                                        purines 42
                                          aminopurine 34
                                            2-aminopurines 9
                                              guanine 9
                                                xanthine 6
                                                  methylxanthine 6
                                                    trimethylxanthine 6
                                                      caffeine 6
                                                        8-(3-chlorostyryl)caffeine 0
                                                        caffeine monohydrate 0
                                                        sodium caffeine benzoate 0
paths to the root