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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:terbutylazine-desethyl
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Accession:CHEBI:83522 term browser browse the term
Definition:A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a tert-butyl group at the amino nitrogen and a chloro group at position 6. It is metabolite of the herbicide terbutylazine.
Synonyms:exact_synonym: N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
 related_synonym: 6-chloro-N-(1,1-dimethylethyl)-1,3,5-triazine-2,4-diamine;   Formula=C7H12ClN5;   InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13);   InChIKey=LMKQNTMFZLAJDV-UHFFFAOYSA-N;   SMILES=CC(C)(C)Nc1nc(N)nc(Cl)n1;   desethylterbuthylazine
 xref: CAS:30125-63-4;   PMID:22752446;   PMID:22983624;   Reaxys:514392



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  CHEBI ontology 19823
    role 19773
      biological role 19773
        biochemical role 19390
          metabolite 19367
            xenobiotic metabolite 14481
              marine xenobiotic metabolite 4045
                terbutylazine-desethyl 0
Path 2
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  CHEBI ontology 19823
    subatomic particle 19821
      composite particle 19821
        hadron 19821
          baryon 19821
            nucleon 19821
              atomic nucleus 19821
                atom 19821
                  main group element atom 19720
                    main group molecular entity 19720
                      s-block molecular entity 19502
                        hydrogen molecular entity 19495
                          hydrides 18855
                            inorganic hydride 17694
                              pnictogen hydride 17675
                                nitrogen hydride 17547
                                  azane 17280
                                    ammonia 17279
                                      organic amino compound 17279
                                        polyamine 8274
                                          diamine 8201
                                            diamino-1,3,5-triazine 3827
                                              terbutylazine-desethyl 0
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