CHEBI:83506 - N-methylperfluorooctane sulfonamidoacetic acid

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ChEBI Name N-methylperfluorooctane sulfonamidoacetic acid
ChEBI ID CHEBI:83506
ChEBI ASCII Name N-methylperfluorooctane sulfonamidoacetic acid
Definition A sulfonamide that is the N-methyl derivative of perfluorooctane sulfonamidoacetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H6F17NO4S
Net Charge 0
Average Mass 571.20700
Monoisotopic Mass 570.97461
InChI InChI=1S/C11H6F17NO4S/c1-29(2-3(30)31)34(32,33)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H2,1H3,(H,30,31)
InChIKey QNDHIRFIMVNHBN-UHFFFAOYSA-N
SMILES CN(CC(O)=O)S(=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 N-methylperfluorooctane sulfonamidoacetic acid (CHEBI:83506) has role environmental contaminant (CHEBI:78298)
N-methylperfluorooctane sulfonamidoacetic acid (CHEBI:83506) has role xenobiotic (CHEBI:35703)
N-methylperfluorooctane sulfonamidoacetic acid (CHEBI:83506) is a monocarboxylic acid (CHEBI:25384)
N-methylperfluorooctane sulfonamidoacetic acid (CHEBI:83506) is a organofluorine compound (CHEBI:37143)
N-methylperfluorooctane sulfonamidoacetic acid (CHEBI:83506) is a sulfonamide (CHEBI:35358)
IUPAC Name
N-[(heptadecafluorooctyl)sulfonyl]-N-methylglycine
Synonym Source
2-(N-methyl-perfluorooctane sulfonamido) acetic acid ChEBI
Registry Number Type Source
9740270 Reaxys Registry Number Reaxys
Last Modified
13 November 2014
General Comments
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag
2014-10-29 Suggested Classification: ISA:organofluorine compound(CHEBI:37143); ISA:sulfonamide(CHEBI:35358); ISA:alpha-amino acid(CHEBI:33704); ISA:organonitrogen compound(CHEBI:35352); ISA:organosulfur compound(CHEBI:33261); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);