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ONTOLOGY REPORT - ANNOTATIONS


Term:1,7-dimethyluric acid
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Accession:CHEBI:68449 term browser browse the term
Definition:An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-1 and N-7. It is a metabolite of caffeine and is often found in human urine samples.
Synonyms:exact_synonym: 1,7-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
 related_synonym: Formula=C7H8N4O3;   InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14);   InChIKey=NOFNCLGCUJJPKU-UHFFFAOYSA-N;   SMILES=Cn1c2c([nH]c1=O)[nH]c(=O)n(C)c2=O
 xref: CAS:33868-03-0 "ChemIDplus";   CAS:33868-03-0 "KEGG COMPOUND";   HMDB:HMDB0011103;   KEGG:C16356
 xref_mesh: MESH:C053084
 xref: MetaCyc:CPD-12483;   PMID:15537072 "Europe PMC";   PMID:22770225 "Europe PMC";   Reaxys:219682 "Reaxys"
 cyclic_relationship: is_conjugate_acid_of CHEBI:133727


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  CHEBI ontology 19657
    role 19601
      biological role 19599
        biochemical role 19130
          metabolite 19098
            xenobiotic metabolite 13799
              human xenobiotic metabolite 12971
                1,7-dimethyluric acid 0
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  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
                                          oxopurine 3933
                                            uric acid 85
                                              7,9-dihydro-1H-purine-2,6,8(3H)-trione 85
                                                1,7-dimethyluric acid 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.