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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acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines.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 19899
        role 19870
          chemical role 19500
            environmental contaminant 18886
              persistent organic pollutant 16811
                perfluorooctane-1-sulfonic acid 6558
                  perfluorooctane sulfonamidoacetic acid 0
                  sulfluramid 22
    Path 2
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      CHEBI ontology 19899
        subatomic particle 19897
          composite particle 19897
            hadron 19897
              baryon 19897
                nucleon 19897
                  atomic nucleus 19897
                    atom 19897
                      main group element atom 19836
                        p-block element atom 19836
                          chalcogen 19588
                            oxygen atom 19560
                              oxygen molecular entity 19560
                                hydroxides 19370
                                  oxoacid 18817
                                    chalcogen oxoacid 13821
                                      sulfur oxoacid 13613
                                        sulfonic acid 11644
                                          sulfo group 9968
                                            organosulfonic acid 9968
                                              perfluoroalkanesulfonic acid 7712
                                                perfluorooctane-1-sulfonic acid 6558
                                                  perfluorooctane sulfonamidoacetic acid 0
                                                  sulfluramid 22
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