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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:deethylatrazine
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Accession:CHEBI:28212 term browser browse the term
Definition:A chloro-1,3,5-triazine that is 6-chloro-1,3,5-triazine-2,4-diamine in which one of the hydrogens of the amino group is replaced by a propan-2-yl group.
Synonyms:exact_synonym: 6-chloro-N-(propan-2-yl)-1,3,5-triazine-2,4-diamine
 related_synonym: 2-amino-4-chloro-6-(isopropylamino)-s-triazine;   4-deethylatrazine;   6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine;   6-chloro-N-isopropyl-1,3,5-triazine-2,4-diamine;   Deethylatrazin;   Formula=C6H10ClN5;   InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12);   InChIKey=DFWFIQKMSFGDCQ-UHFFFAOYSA-N;   SMILES=CC(C)Nc1nc(N)nc(Cl)n1;   desethyl atrazine
 alt_id: CHEBI:23581;   CHEBI:4355
 xref: Beilstein:610488;   CAS:6190-65-4;   HMDB:HMDB0033249;   KEGG:C06559
 xref_mesh: MESH:C446541
 xref: MetaCyc:CPD-801;   PMID:11476505;   PMID:15506812;   PMID:25281136;   Reaxys:610488;   UM-BBD_compID:c0169


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    role 0
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        biochemical role 0
          metabolite 0
            xenobiotic metabolite 0
              marine xenobiotic metabolite 0
                deethylatrazine 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        polyamine 0
                                          diamine 0
                                            diamino-1,3,5-triazine 0
                                              1,3,5-triazine-2,4-diamine 0
                                                6-chloro-1,3,5-triazine-2,4-diamine 0
                                                  deethylatrazine 0
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