CHEBI:83505 - perfluorooctane sulfonamidoacetic acid

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ChEBI Name perfluorooctane sulfonamidoacetic acid
ChEBI ID CHEBI:83505
Definition A monocarboxylic acid that is (sulfoamino)acetic acid substituted by a heptadecafluorooctyl group at the sulfur atom.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H4F17NO4S
Net Charge 0
Average Mass 557.18100
Monoisotopic Mass 556.95896
InChI InChI=1S/C10H4F17NO4S/c11-3(12,5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)33(31,32)28-1-2(29)30/h28H,1H2,(H,29,30)
InChIKey AYLOUUCBACYHAB-UHFFFAOYSA-N
SMILES OC(=O)CNS(=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): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
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ChEBI Ontology
Outgoing perfluorooctane sulfonamidoacetic acid (CHEBI:83505) has functional parent perfluorooctane-1-sulfonic acid (CHEBI:39421)
perfluorooctane sulfonamidoacetic acid (CHEBI:83505) has functional parent perfluorooctanesulfonamide (CHEBI:138089)
perfluorooctane sulfonamidoacetic acid (CHEBI:83505) has role environmental contaminant (CHEBI:78298)
perfluorooctane sulfonamidoacetic acid (CHEBI:83505) has role xenobiotic (CHEBI:35703)
perfluorooctane sulfonamidoacetic acid (CHEBI:83505) is a monocarboxylic acid (CHEBI:25384)
perfluorooctane sulfonamidoacetic acid (CHEBI:83505) is a organofluorine compound (CHEBI:37143)
perfluorooctane sulfonamidoacetic acid (CHEBI:83505) is a sulfonamide (CHEBI:35358)
IUPAC Name
N-[(heptadecafluorooctyl)sulfonyl]glycine
Registry Number Type Source
1811103 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
24468635 PubMed citation Europe PMC
Last Modified
03 August 2017