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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acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines.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 26503
        role 26326
          chemical role 24363
            environmental contaminant 21020
              persistent organic pollutant 17682
                perfluorooctane-1-sulfonic acid 6700
                  perfluorooctane sulfonamidoacetic acid 0
                  sulfluramid 25
    Path 2
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      CHEBI ontology 26503
        subatomic particle 26479
          composite particle 26479
            hadron 26479
              baryon 26479
                nucleon 26479
                  atomic nucleus 26479
                    atom 26479
                      main group element atom 26217
                        p-block element atom 26217
                          chalcogen 25128
                            oxygen atom 24935
                              oxygen molecular entity 24935
                                hydroxides 24126
                                  oxoacid 23073
                                    chalcogen oxoacid 14579
                                      sulfur oxoacid 14332
                                        sulfonic acid 12036
                                          sulfo group 10363
                                            organosulfonic acid 10363
                                              perfluoroalkanesulfonic acid 7877
                                                perfluorooctane-1-sulfonic acid 6700
                                                  perfluorooctane sulfonamidoacetic acid 0
                                                  sulfluramid 25
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