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ONTOLOGY REPORT - ANNOTATIONS


Term:theobromine
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Accession:CHEBI:28946 term browser browse the term
Definition:A dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator.
Synonyms:related_synonym: 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione;   3,7-dimethylpurine-2,6-dione;   3,7-dimethylxanthine;   Formula=C7H8N4O2;   InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13);   InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N;   SMILES=Cn1cnc2n(C)c(=O)[nH]c(=O)c12;   Theobromin
 alt_id: CHEBI:26939;   CHEBI:39914;   CHEBI:9521
 xref: Beilstein:16464 "Beilstein";   CAS:83-67-0 "ChemIDplus";   CAS:83-67-0 "KEGG COMPOUND";   CAS:83-67-0 "NIST Chemistry WebBook";   DrugBank:DB01412;   Drug_Central:2618 "DrugCentral";   Gmelin:143367 "Gmelin";   HMDB:HMDB0002825;   KEGG:C07480;   KNApSAcK:C00001509;   LINCS:LSM-5483
 xref_mesh: MESH:D013805
 xref: MetaCyc:3-7-DIMETHYLXANTHINE;   PDBeChem:37T;   PMID:10456233 "Europe PMC";   PMID:11600064 "Europe PMC";   PMID:16979558 "Europe PMC";   PMID:18632476 "Europe PMC";   PMID:18964243 "Europe PMC";   PMID:19018565 "Europe PMC";   PMID:21839757 "Europe PMC";   PMID:21871761 "Europe PMC";   PMID:22751681 "Europe PMC";   PMID:22770225 "Europe PMC";   PMID:22824731 "Europe PMC";   PMID:22866022 "Europe PMC";   PMID:23094271 "Europe PMC";   PMID:23236361 "Europe PMC";   PMID:28166217 "Europe PMC";   PMID:9468592 "Europe PMC";   Reaxys:16464 "Reaxys";   Wikipedia:Theobromine


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theobromine term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 JBrowse link 8 62,451,360 62,458,244 RGD:6480464
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 JBrowse link 1 213,511,892 213,522,195 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19657
    role 19601
      biological role 19599
        physiological role 19591
          food component 19591
            theobromine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19657
    subatomic particle 19653
      composite particle 19653
        hadron 19653
          baryon 19653
            nucleon 19653
              atomic nucleus 19653
                atom 19653
                  main group element atom 19534
                    p-block element atom 19534
                      carbon group element atom 19417
                        carbon atom 19409
                          organic molecular entity 19409
                            organic molecule 19332
                              organic cyclic compound 19083
                                organic heterocyclic compound 18154
                                  organic heteropolycyclic compound 17419
                                    organic heterobicyclic compound 15891
                                      imidazopyrimidine 5336
                                        purines 5334
                                          aminopurine 4290
                                            2-aminopurines 3916
                                              guanine 3879
                                                xanthine 3797
                                                  methylxanthine 996
                                                    dimethylxanthine 524
                                                      theobromine 2
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