CHEBI:39421 - perfluorooctane-1-sulfonic acid

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ChEBI Name perfluorooctane-1-sulfonic acid
ChEBI ID CHEBI:39421
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acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB0745383, eMolecules:530569, ZINC000038141428
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Formula C8HF17O3S
Net Charge 0
Average Mass 500.13000
Monoisotopic Mass 499.93749
InChI 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
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
Roles Classification
Chemical Role(s): persistent organic pollutant
Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains.
Application(s): antilipemic drug
A substance used to treat hyperlipidemia (an excess of lipids in the blood).
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ChEBI Ontology
Outgoing perfluorooctane-1-sulfonic acid (CHEBI:39421) has functional parent octane-1-sulfonic acid (CHEBI:39422)
perfluorooctane-1-sulfonic acid (CHEBI:39421) has role antilipemic drug (CHEBI:35679)
perfluorooctane-1-sulfonic acid (CHEBI:39421) has role persistent organic pollutant (CHEBI:77853)
perfluorooctane-1-sulfonic acid (CHEBI:39421) is a perfluoroalkanesulfonic acid (CHEBI:132447)
Incoming perfluorooctane sulfonamidoacetic acid (CHEBI:83505) has functional parent perfluorooctane-1-sulfonic acid (CHEBI:39421)
sulfluramid (CHEBI:81945) has functional parent perfluorooctane-1-sulfonic acid (CHEBI:39421)
IUPAC Name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
Synonyms Sources
1-perfluorooctanesulfonic acid ChemIDplus
heptadecafluoro-1-octanesulfonic acid ChemIDplus
perfluorooctanesulfonic acid HMDB
perfluorooctylsulfonic acid ChemIDplus
Perfluorooctylsulfonic acid KEGG COMPOUND
PFOS ChemIDplus
PFOS KEGG COMPOUND
Manual Xrefs Databases
C18142 KEGG COMPOUND
HMDB0059586 HMDB
Perfluorooctanesulfonic_acid Wikipedia
View more database links
Registry Numbers Types Sources
1763-23-1 CAS Registry Number KEGG COMPOUND
1763-23-1 CAS Registry Number ChemIDplus
1813859 Reaxys Registry Number Reaxys
580137 Gmelin Registry Number Gmelin
Last Modified
06 July 2016