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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:perfluorooctane-1-sulfonic acid
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Accession:CHEBI:39421 term browser browse the term
Definition:A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines.
Synonyms:exact_synonym: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
 related_synonym: 1-perfluorooctanesulfonic acid;   Formula=C8HF17O3S;   InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28);   InChIKey=YFSUTJLHUFNCNZ-UHFFFAOYSA-N;   PFOS;   Perfluorooctylsulfonic acid;   SMILES=OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;   heptadecafluoro-1-octanesulfonic acid;   perfluorooctanesulfonic acid
 xref: CAS:1763-23-1;   Gmelin:580137;   HMDB:HMDB0059586;   KEGG:C18142
 xref_mesh: MESH:C076994
 xref: Reaxys:1813859;   Wikipedia:Perfluorooctanesulfonic_acid


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    Path 1
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      CHEBI ontology 19880
        role 19850
          chemical role 19479
            environmental contaminant 18858
              persistent organic pollutant 16771
                perfluorooctane-1-sulfonic acid 6544
                  perfluorooctane sulfonamidoacetic acid 0
                  sulfluramid 22
    Path 2
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      CHEBI ontology 19880
        subatomic particle 19878
          composite particle 19878
            hadron 19878
              baryon 19878
                nucleon 19878
                  atomic nucleus 19878
                    atom 19878
                      main group element atom 19817
                        p-block element atom 19817
                          chalcogen 19569
                            oxygen atom 19541
                              oxygen molecular entity 19541
                                hydroxides 19347
                                  oxoacid 18782
                                    chalcogen oxoacid 13784
                                      sulfur oxoacid 13573
                                        sulfonic acid 11618
                                          sulfo group 9953
                                            organosulfonic acid 9953
                                              perfluoroalkanesulfonic acid 7698
                                                perfluorooctane-1-sulfonic acid 6544
                                                  perfluorooctane sulfonamidoacetic acid 0
                                                  sulfluramid 22
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