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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:exact_synonym: N-(tert-butyl)-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
 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;   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 8:66,971,261...66,978,149
Ensembl chr 8:66,971,261...66,978,149 		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 chr11:75,965,717...76,006,733
Ensembl chr11:75,965,632...76,002,380 		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 chr12:26,587,674...26,655,612
Ensembl chr12:26,587,674...26,635,809 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      biological role 20818
        xenobiotic 19528
          terbutryn 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    main group molecular entity 20781
                      s-block molecular entity 20574
                        hydrogen molecular entity 20558
                          hydrides 19693
                            inorganic hydride 18602
                              pnictogen hydride 18589
                                nitrogen hydride 18502
                                  azane 18262
                                    ammonia 18261
                                      organic amino compound 18261
                                        polyamine 9126
                                          diamine 9061
                                            diamino-1,3,5-triazine 5185
                                              terbutryn 3
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