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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:1,7-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;   HMDB:HMDB0011103;   KEGG:C16356
 xref_mesh: MESH:C053084
 xref: MetaCyc:CPD-12483;   PMID:15537072;   PMID:22770225;   Reaxys:219682
 cyclic_relationship: is_conjugate_acid_of CHEBI:133727

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Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        biochemical role 19282
          metabolite 19263
            xenobiotic metabolite 14043
              human xenobiotic metabolite 13294
                1,7-dimethyluric acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic molecule 19488
                              organic cyclic compound 19285
                                organic heterocyclic compound 18410
                                  organic heteropolycyclic compound 17824
                                    organic heterobicyclic compound 16744
                                      imidazopyrimidine 5439
                                        purines 5437
                                          oxopurine 4025
                                            uric acid 88
                                              7,9-dihydro-1H-purine-2,6,8(3H)-trione 88
                                                1,7-dimethyluric acid 0
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