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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:methylisothiazolinone
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Accession:CHEBI:53620 term browser browse the term
Definition:A 1,2-thazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom. It is a powerful biocide and preservative and is the minor active ingredient in the commercial product Kathon(TM).
Synonyms:exact_synonym: 2-methyl-1,2-thiazol-3(2H)-one
 related_synonym: 2-Methyl-3(2H)-isothiazolone;   2-Methyl-4-isothiazolin-3-one;   Formula=C4H5NOS;   InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3;   InChIKey=BEGLCMHJXHIJLR-UHFFFAOYSA-N;   MI;   MIT;   SMILES=Cn1sccc1=O
 xref: Beilstein:606203;   CAS:2682-20-4
 xref_mesh: MESH:C011506
 xref: PMID:18198720;   PMID:21504436;   PMID:21616561;   PMID:21777214;   PMID:23340392;   PMID:23510348;   PMID:23510349;   PMID:23601061;   Patent:EP2289335;   Reaxys:606203;   Wikipedia:Methylisothiazolinone


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Term Annotations click to browse term
  CHEBI ontology 913
    role 872
      biological role 872
        antimicrobial agent 236
          methylisothiazolinone 0
            MCI/MI 0
            chloromethylisothiazolinone + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 913
    subatomic particle 898
      composite particle 898
        hadron 898
          baryon 898
            nucleon 898
              atomic nucleus 898
                atom 898
                  main group element atom 867
                    p-block element atom 864
                      carbon group element atom 840
                        carbon atom 839
                          organic molecular entity 839
                            organic molecule 756
                              organic cyclic compound 664
                                organic heterocyclic compound 369
                                  heteroarene 101
                                    monocyclic heteroarene 28
                                      azole 28
                                        thiazoles 1
                                          1,2-thiazoles 0
                                            methylisothiazolinone 0
                                              MCI/MI 0
                                              chloromethylisothiazolinone + 0
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