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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 19669
    role 19613
      biological role 19611
        physiological role 19603
          food component 19603
            theobromine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic molecule 19343
                              organic cyclic compound 19093
                                organic heterocyclic compound 18157
                                  organic heteropolycyclic compound 17423
                                    organic heterobicyclic compound 15889
                                      imidazopyrimidine 5334
                                        purines 5332
                                          aminopurine 4287
                                            2-aminopurines 3914
                                              guanine 3877
                                                xanthine 3795
                                                  methylxanthine 996
                                                    dimethylxanthine 524
                                                      theobromine 2
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