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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 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312
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Term Annotations click to browse term
  CHEBI ontology 19911
    role 19854
      biological role 19852
        biochemical role 19582
          metabolite 19562
            xenobiotic metabolite 16176
              human xenobiotic metabolite 15795
                1,3,7-trimethyluric acid 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19880
          baryon 19880
            nucleon 19909
              atomic nucleus 19880
                atom 19909
                  main group element atom 19849
                    p-block element atom 19849
                      carbon group element atom 19766
                        carbon atom 19785
                          organic molecular entity 19785
                            organic molecule 19737
                              organic cyclic compound 19526
                                organic heterocyclic compound 18870
                                  organic heteropolycyclic compound 18315
                                    organic heterobicyclic compound 17265
                                      imidazopyrimidine 7716
                                        purines 7763
                                          oxopurine 6346
                                            1,3,7-trimethyluric acid 1
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