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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:terbutryn
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Accession:CHEBI:44156 term browser browse the term
Definition:A methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by a tert-butylamino and an ethylamino group at positions 2 and 4 respectively.
Synonyms:related_synonym: 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-s-triazine;   2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)triazine;   2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE;   2-tert-butylamino-4-ethylamino-6-methylthio-[1,3,5]triazine;   Formula=C10H19N5S;   InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15);   InChIKey=IROINLKCQGIITA-UHFFFAOYSA-N;   N(2)-tert-butyl-N(4)-ethyl-6-methylthio-1,3,5-triazine-2,4-diamine;   N-(1,1-dimethylethyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine;   N-(tert-butyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine;   N-tert-butyl-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine;   SMILES=CCNc1nc(NC(C)(C)C)nc(SC)n1;   Terbutryne
 alt_id: CHEBI:26867;   CHEBI:44152
 xref: Beilstein:611817;   CAS:886-50-0;   DrugBank:DB08215;   KEGG:C18811
 xref_mesh: MESH:C010347
 xref: PDBeChem:MST;   PMID:11201052;   PMID:18049772;   PMID:7108146;   PPDB:624;   Pesticides:terbutryn;   Reaxys:611817;   UM-BBD_compID:c0256


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terbutryn term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 increases metabolic processing
multiple interactions
ISO CYP1A2 protein results in increased metabolism of terbutryne
POR protein promotes the reaction [CYP1A2 protein results in increased metabolism of terbutryne]
CTD PMID:8971136 NCBI chr 8:62,451,360...62,458,244
Ensembl chr 8:62,451,329...62,458,301
JBrowse link
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 multiple interactions ISO terbutryne binds to and results in increased activity of NR1I2 protein CTD PMID:20024649 NCBI chr11:65,022,100...65,058,546
Ensembl chr11:65,022,100...65,058,545
JBrowse link
G Por cytochrome p450 oxidoreductase multiple interactions ISO POR protein promotes the reaction [CYP1A2 protein results in increased metabolism of terbutryne] CTD PMID:8971136 NCBI chr12:23,998,411...24,017,063
Ensembl chr12:23,998,411...24,046,814
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        xenobiotic 18381
          terbutryn 3
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
                    main group molecular entity 19672
                      s-block molecular entity 19430
                        hydrogen molecular entity 19420
                          hydrides 18686
                            inorganic hydride 17411
                              pnictogen hydride 17383
                                nitrogen hydride 17224
                                  azane 16941
                                    ammonia 16940
                                      organic amino compound 16939
                                        polyamine 8105
                                          diamine 8033
                                            diamino-1,3,5-triazine 3668
                                              terbutryn 3
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