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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: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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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19811
        role 19818
          biological role 19785
            xenobiotic 18731
              caffeine 3730
                8-(3-chlorostyryl)caffeine 5
                caffeine monohydrate 0
                sodium caffeine benzoate 0
    Path 2
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      CHEBI ontology 19811
        subatomic particle 19809
          composite particle 19809
            hadron 19840
              baryon 19809
                nucleon 19809
                  atomic nucleus 19809
                    atom 19809
                      main group element atom 19759
                        p-block element atom 19759
                          carbon group element atom 19708
                            carbon atom 19734
                              organic molecular entity 19705
                                organic molecule 19658
                                  organic cyclic compound 19471
                                    organic heterocyclic compound 18862
                                      organic heteropolycyclic compound 18301
                                        organic heterobicyclic compound 17233
                                          imidazopyrimidine 7711
                                            purines 7710
                                              aminopurine 6713
                                                2-aminopurines 6296
                                                  guanine 6269
                                                    xanthine 6192
                                                      methylxanthine 4085
                                                        trimethylxanthine 3731
                                                          caffeine 3730
                                                            8-(3-chlorostyryl)caffeine 5
                                                            caffeine monohydrate 0
                                                            sodium caffeine benzoate 0
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