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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:5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione
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Accession:CHEBI:83658 term browser browse the term
Definition:A pyrimidone that is pyrimidine-2,4(1H,3H)-dione substituted by a bromo group at position 5, a butan-2-yl group at position 3 and a methyl group at position 6.
Synonyms:related_synonym: Formula=C9H13BrN2O2;   InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14);   InChIKey=CTSLUCNDVMMDHG-UHFFFAOYSA-N;   SMILES=CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O
 xref: PPDB:88


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bromacil term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Pde4a phosphodiesterase 4A, cAMP specific affects activity ISO bromacil affects the activity of PDE4A protein CTD PMID:21251949 NCBI chr 9:21,076,998...21,124,544
Ensembl chr 9:21,073,005...21,124,544 		JBrowse link
G Pde5a phosphodiesterase 5A, cGMP-specific affects activity ISO bromacil affects the activity of PDE5 protein CTD PMID:21251949 NCBI chr 3:122,522,822...122,653,023
Ensembl chr 3:122,522,596...122,653,023 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22304
    chemical entity 22303
      molecular entity 22299
        polyatomic entity 22151
          heteroatomic molecular entity 22087
            halide 20358
              organohalogen compound 20117
                organobromine compound 7752
                  5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione 2
                    (R)-bromacil + 2
                    (S)-bromacil + 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 22304
    subatomic particle 22299
      composite particle 22299
        hadron 22299
          baryon 22299
            nucleon 22299
              atomic nucleus 22299
                atom 22299
                  main group element atom 22180
                    p-block element atom 22180
                      carbon group element atom 21982
                        carbon atom 21922
                          organic molecular entity 21922
                            organic molecule 21750
                              organic cyclic compound 21368
                                organic heterocyclic compound 20382
                                  organic heteromonocyclic compound 18770
                                    diazines 13476
                                      pyrimidines 13344
                                        pyrimidone 10568
                                          5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione 2
                                            (R)-bromacil + 2
                                            (S)-bromacil + 2
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