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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:1,7-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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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
                1,7-dimethyluric acid 0
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
                                            uric acid 136
                                              7,9-dihydro-1H-purine-2,6,8(3H)-trione 134
                                                1,7-dimethyluric acid 0
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