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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 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312 		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 chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658 		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 chr12:20,951,058...20,999,198
Ensembl chr12:20,951,058...20,999,245 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19890
    role 19839
      biological role 19858
        xenobiotic 18739
          terbutryn 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19867
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19867
              atomic nucleus 19888
                atom 19888
                  main group element atom 19806
                    main group molecular entity 19806
                      s-block molecular entity 19641
                        hydrogen molecular entity 19622
                          hydrides 19150
                            inorganic hydride 18152
                              pnictogen hydride 18164
                                nitrogen hydride 18055
                                  azane 17882
                                    ammonia 17860
                                      organic amino compound 17860
                                        polyamine 9024
                                          diamine 8959
                                            diamino-1,3,5-triazine 5111
                                              terbutryn 3
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