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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 19812
    role 19761
      biological role 19761
        biochemical role 19381
          metabolite 19356
            xenobiotic metabolite 14476
              human xenobiotic metabolite 13864
                1,3,7-trimethyluric acid 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic molecule 19560
                              organic cyclic compound 19351
                                organic heterocyclic compound 18582
                                  organic heteropolycyclic compound 18059
                                    organic heterobicyclic compound 16869
                                      imidazopyrimidine 5611
                                        purines 5609
                                          oxopurine 4067
                                            1,3,7-trimethyluric acid 1
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