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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 22279
        role 22263
          biological role 22262
            xenobiotic 19698
              atrazine 5023
                4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 22279
        subatomic particle 22273
          composite particle 22273
            hadron 22273
              baryon 22273
                nucleon 22273
                  atomic nucleus 22273
                    atom 22273
                      main group element atom 22152
                        main group molecular entity 22152
                          s-block molecular entity 21747
                            hydrogen molecular entity 21662
                              hydrides 20771
                                inorganic hydride 18711
                                  pnictogen hydride 18691
                                    nitrogen hydride 18566
                                      azane 18472
                                        ammonia 18471
                                          organic amino compound 18471
                                            polyamine 8960
                                              diamine 8897
                                                diamino-1,3,5-triazine 5039
                                                  1,3,5-triazine-2,4-diamine 5023
                                                    6-chloro-1,3,5-triazine-2,4-diamine 5023
                                                      atrazine 5023
                                                        4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol 0
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