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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:thimerosal
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Accession:CHEBI:9546 term browser browse the term
Definition:An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent.
Synonyms:exact_synonym: sodium [(2-carboxylatophenyl)sulfanyl](ethyl)mercurate(1-);   sodium ethyl[2-(sulfanyl-kappaS)benzoato(2-)]mercurate(1-)
 related_synonym: Formula=C9H9HgNaO2S;   Formula=C9H9HgO2S.Na;   InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2;   InChIKey=RTKIYNMVFMVABJ-UHFFFAOYSA-L;   Merthiolate;   SMILES=[Na+].CC[Hg]Sc1ccccc1C([O-])=O;   Thiomersal;   [(o-carboxyphenyl)thio]ethylmercury sodium salt;   ethyl(2-mercaptobenzoato-S)mercury sodium salt;   ethylmercurithiosalicylate sodium;   ethylmercurithiosalicylic acid sodium salt;   mercurothiolate;   o-(ethylmercurithio)benzoic acid sodium salt;   sodium merthiolate;   thiomersalate;   thiomersalum;   tiomersal
 xref: Beilstein:8169555;   CAS:54-64-8;   Gmelin:1677155;   KEGG:D00864
 xref_mesh: MESH:D013849
 xref: PMID:18837732;   PMID:21616561;   PMID:21785120;   PMID:22015977;   PMID:22366633;   PMID:22658806;   PMID:22811707;   PMID:23145070;   PMID:23223227;   PMID:23282150;   PMID:23401210;   PMID:23554557;   PMID:23843785;   PMID:23949514;   PMID:23965928;   PMID:23992327;   PMID:25042713;   PPDB:3062;   Reaxys:8169555;   VSDB:3062

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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        antimicrobial agent 0
          disinfectant 0
            thimerosal 0
Path 2
Term Annotations click to browse term
  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 ion 0
                              organic anion 0
                                carboxylic acid anion 0
                                  monocarboxylic acid anion 0
                                    benzoates 0
                                      ethylmercurithiosalicylate 0
                                        thimerosal 0
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