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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:4,5-dichloro-2-n-octyl-3(2H)-isothiazolone
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Accession:CHEBI:83518 term browser browse the term
Definition:A 1,2-thiazole that is 1,2-thiazol-3(2H)-one substituted by chloro groups at positions 4 and 5 and an octyl group at position 2. It is used as a fungicide.
Synonyms:exact_synonym: 4,5-dichloro-2-octyl-1,2-thiazol-3(2H)-one
 related_synonym: DCOIT;   Formula=C11H17Cl2NOS;   InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3;   InChIKey=PORQOHRXAJJKGK-UHFFFAOYSA-N;   Kathon 930;   SMILES=CCCCCCCCn1sc(Cl)c(Cl)c1=O;   dichlorooctylisothiazolinone
 xref: CAS:64359-81-5
 xref_mesh: MESH:C080469
 xref: PMID:24850171;   Patent:NZ524752;   Patent:US2010256204;   Reaxys:1110842


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  CHEBI ontology 0
    role 0
      biological role 0
        xenobiotic 0
          4,5-dichloro-2-n-octyl-3(2H)-isothiazolone 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
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  heteroarene 0
                                    monocyclic heteroarene 0
                                      azole 0
                                        thiazoles 0
                                          1,2-thiazoles 0
                                            4,5-dichloro-2-n-octyl-3(2H)-isothiazolone 0
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