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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:1,3,7-trimethyluric acid
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Accession:CHEBI:691622 term browser browse the term
Definition:An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8, and the nitrogens at positions 1, 3, and 7 are substituted by methyl groups. It is a metabolite of caffeine.
Synonyms:related_synonym: 1,3,7-trimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione;   1,3,7-trimethylurate;   7,9-dihydro-1,3,7-trimethyl-1H-purine-2,6,8(3H)-trione;   8-oxocaffeine;   8-oxy-caffeine;   Formula=C8H10N4O3;   InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14);   InChIKey=BYXCFUMGEBZDDI-UHFFFAOYSA-N;   SMILES=CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2C
 xref: AGR:IND20602807;   CAS:5415-44-1;   Chemspider:71754;   FooDB:FDB022854;   HMDB:HMDB0002123;   KEGG:C16361;   KNApSAcK:C00051957
 xref_mesh: MESH:C039222
 xref: MetaCyc:CPD-12480;   PDBeChem:EXU;   PMCID:PMC6818814;   PMID:10076532;   PMID:11712316;   PMID:15013152;   PMID:15537072;   PMID:15833286;   PMID:17981969;   PMID:26967371;   PMID:31123759;   PMID:31910660;   PMID:32193380;   PMID:32841636;   PMID:6888171;   PMID:9061462;   Reaxys:20503;   Wikipedia:1\,3\,7-Trimethyluric_acid
 cyclic_relationship: is_conjugate_acid_of CHEBI:132940


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1,3,7-trimethyluric acid term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 multiple interactions ISO [CYP1A2 protein binds to and results in increased metabolism of Caffeine] which results in increased chemical synthesis of 1,3,7-trimethyluric acid CTD PMID:31132250 NCBI chr 8:66,971,261...66,978,149
Ensembl chr 8:66,971,261...66,978,149 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20849
    role 20820
      biological role 20805
        biochemical role 20268
          metabolite 20237
            xenobiotic metabolite 16619
              human xenobiotic metabolite 16304
                1,3,7-trimethyluric acid 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20849
    subatomic particle 20847
      composite particle 20860
        hadron 20847
          baryon 20860
            nucleon 20847
              atomic nucleus 20847
                atom 20860
                  main group element atom 20781
                    p-block element atom 20768
                      carbon group element atom 20715
                        carbon atom 20710
                          organic molecular entity 20710
                            organic molecule 20654
                              organic cyclic compound 20403
                                organic heterocyclic compound 19386
                                  organic heteropolycyclic compound 18633
                                    organic heterobicyclic compound 17528
                                      imidazopyrimidine 7806
                                        purines 7811
                                          oxopurine 6366
                                            1,3,7-trimethyluric acid 1
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