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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 19808
    role 19757
      biological role 19757
        biochemical role 19377
          metabolite 19352
            xenobiotic metabolite 14478
              human xenobiotic metabolite 13866
                1,7-dimethyluric acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19807
      composite particle 19807
        hadron 19807
          baryon 19807
            nucleon 19807
              atomic nucleus 19807
                atom 19807
                  main group element atom 19704
                    p-block element atom 19704
                      carbon group element atom 19626
                        carbon atom 19616
                          organic molecular entity 19616
                            organic molecule 19556
                              organic cyclic compound 19347
                                organic heterocyclic compound 18580
                                  organic heteropolycyclic compound 18057
                                    organic heterobicyclic compound 16867
                                      imidazopyrimidine 5610
                                        purines 5608
                                          oxopurine 4066
                                            uric acid 109
                                              7,9-dihydro-1H-purine-2,6,8(3H)-trione 109
                                                1,7-dimethyluric acid 0
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