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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:atrazine
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Accession:CHEBI:15930 term browser browse the term
Definition:A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6 while one of hydrogens of each amino group is replaced respectively by an ethyl and a propan-2-yl group.
Synonyms:exact_synonym: 6-chloro-N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
 related_synonym: 2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE;   2-ethylamino-4-isopropylamino-6-chloro-s-triazine;   6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine;   6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine;   Formula=C8H14ClN5;   InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14);   InChIKey=MXWJVTOOROXGIU-UHFFFAOYSA-N;   SMILES=CCNc1nc(Cl)nc(NC(C)C)n1
 alt_id: CHEBI:13865;   CHEBI:22672;   CHEBI:2916;   CHEBI:49479
 xref: CAS:1912-24-9;   DrugBank:DB07392;   HMDB:HMDB0041830;   KEGG:C06551;   LINCS:LSM-18990
 xref_mesh: MESH:D001280
 xref: MetaCyc:ATRAZINE;   PDBeChem:ATZ;   PMID:24211529;   PMID:24239819;   PMID:24246238;   PPDB:43;   Reaxys:612020;   UM-BBD_compID:c0002;   Wikipedia:Atrazine


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19899
        role 19870
          biological role 19868
            xenobiotic 18753
              atrazine 5095
                4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19899
        subatomic particle 19897
          composite particle 19897
            hadron 19897
              baryon 19897
                nucleon 19897
                  atomic nucleus 19897
                    atom 19897
                      main group element atom 19836
                        main group molecular entity 19836
                          s-block molecular entity 19670
                            hydrogen molecular entity 19652
                              hydrides 19162
                                inorganic hydride 18180
                                  pnictogen hydride 18170
                                    nitrogen hydride 18083
                                      azane 17891
                                        ammonia 17890
                                          organic amino compound 17890
                                            polyamine 9030
                                              diamine 8965
                                                diamino-1,3,5-triazine 5111
                                                  1,3,5-triazine-2,4-diamine 5095
                                                    6-chloro-1,3,5-triazine-2,4-diamine 5095
                                                      atrazine 5095
                                                        4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol 0
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