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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:deisopropylatrazine
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Accession:CHEBI:27399 term browser browse the term
Definition:A diamino-1,3,5-triazine that is N-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.
Synonyms:exact_synonym: 6-chloro-N-ethyl-1,3,5-triazine-2,4-diamine
 related_synonym: 2-amino-4-chloro-6-ethylamino-s-triazine;   6-deisopropylatrazine;   Formula=C5H8ClN5;   InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11);   InChIKey=IVENSCMCQBJAKW-UHFFFAOYSA-N;   SMILES=CCNc1nc(N)nc(Cl)n1;   amino-2-chloro-6-ethylamino-s-triazine
 alt_id: CHEBI:23597;   CHEBI:4374
 xref: Beilstein:8150;   CAS:1007-28-9;   KEGG:C06556
 xref_mesh: MESH:C027880
 xref: MetaCyc:CPD-805;   PMID:14759146;   PMID:9920461;   Reaxys:8150;   UM-BBD_compID:c0166


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Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      biological role 5016
        biochemical role 4938
          metabolite 4926
            xenobiotic metabolite 175
              bacterial xenobiotic metabolite 90
                deisopropylatrazine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    main group molecular entity 5012
                      s-block molecular entity 4970
                        hydrogen molecular entity 4964
                          hydrides 4544
                            inorganic hydride 403
                              pnictogen hydride 399
                                nitrogen hydride 399
                                  azane 391
                                    ammonia 391
                                      organic amino compound 284
                                        polyamine 13
                                          diamine 13
                                            diamino-1,3,5-triazine 0
                                              1,3,5-triazine-2,4-diamine 0
                                                6-chloro-1,3,5-triazine-2,4-diamine 0
                                                  deisopropylatrazine 0
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