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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:triclosan
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Accession:CHEBI:164200 term browser browse the term
Definition:An aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as plastic chopping boards, sports equipment and shoes.
Synonyms:related_synonym: 2,4,4'-Trichloro-2'-hydroxydiphenyl ether;   5-Chloro-2-(2,4-dichloro-phenoxy)-phenol;   5-chloro-2-(2,4-dichlorophenoxy)phenol;   Formula=C12H7Cl3O2;   InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H;   InChIKey=XEFQLINVKFYRCS-UHFFFAOYSA-N;   SMILES=Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl;   triclosanum
 alt_id: CHEBI:29697;   CHEBI:47700
 xref: Beilstein:2057142;   CAS:3380-34-5;   DrugBank:DB08604;   Drug_Central:3631;   KEGG:C12059;   KEGG:D06226;   LINCS:LSM-2929
 xref_mesh: MESH:D014260
 xref: PDBeChem:TCL;   PMID:11175846;   PMID:11418506;   PMID:15269185;   PMID:17567585;   PMID:18837732;   PMID:18937596;   PMID:19388793;   PMID:21094257;   PMID:21166831;   PMID:21833630;   PMID:22105314;   PMID:22561896;   PMID:22746545;   PMID:23146048;   PMID:23161706;   PMID:23192912;   PMID:23282071;   PMID:23313217;   PMID:23320506;   PMID:23368947;   PMID:23435526;   PMID:23561013;   PMID:23592331;   PMID:23614034;   PMID:23648333;   PMID:23791346;   PMID:23831729;   PMID:23890965;   PMID:23927454;   PMID:24079913;   PMID:25179274;   PMID:28236114;   PMID:28339349;   PMID:28632490;   PMID:28741979;   PMID:29030459;   PMID:29067681;   PMID:29100157;   PMID:29109308;   PMID:29111213;   PMID:29111444;   PMID:29131715;   PMID:29150338;   PMID:29154092;   PMID:29172042;   PMID:29175687;   PMID:29197580;   PMID:29205483;   PMID:29214481;   PMID:29232866;   PMID:29277667;   PMID:29332277;   PMID:29340711;   PMID:29348637;   Patent:NL6401526;   Patent:US3506720;   Patent:US3629477;   Reaxys:2057142;   Wikipedia:Triclosan


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      CHEBI ontology 19812
        role 19761
          biological role 19761
            xenobiotic 18442
              triclosan 2042
    Path 2
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      CHEBI ontology 19812
        subatomic particle 19811
          composite particle 19811
            hadron 19811
              baryon 19811
                nucleon 19811
                  atomic nucleus 19811
                    atom 19811
                      main group element atom 19708
                        p-block element atom 19708
                          carbon group element atom 19630
                            carbon atom 19620
                              organic molecular entity 19620
                                organic molecule 19560
                                  organic cyclic compound 19351
                                    carbocyclic compound 18309
                                      benzenoid aromatic compound 17453
                                        benzenes 17233
                                          chlorobenzenes 13608
                                            dichlorobenzene 10609
                                              triclosan 2042
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