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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 400
    role 400
      biological role 400
        antimicrobial agent 114
          methylisothiazolinone 0
            MCI/MI 0
            chloromethylisothiazolinone + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 400
    subatomic particle 400
      composite particle 400
        hadron 400
          baryon 400
            nucleon 400
              atomic nucleus 400
                atom 400
                  main group element atom 393
                    p-block element atom 393
                      carbon group element atom 381
                        carbon atom 380
                          organic molecular entity 380
                            organic molecule 371
                              organic cyclic compound 355
                                organic heterocyclic compound 319
                                  heteroarene 193
                                    monocyclic heteroarene 168
                                      azole 168
                                        thiazoles 157
                                          1,2-thiazoles 0
                                            methylisothiazolinone 0
                                              MCI/MI 0
                                              chloromethylisothiazolinone + 0
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