CHEBI:83507 - N-ethylperfluorooctane sulfonamidoacetic acid

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ChEBI Name N-ethylperfluorooctane sulfonamidoacetic acid
ChEBI ID CHEBI:83507
ChEBI ASCII Name N-ethylperfluorooctane sulfonamidoacetic acid
Definition A sulfonamide that is the N-ethyl derivative of perfluorooctane sulfonamidoacetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H8F17NO4S
Net Charge 0
Average Mass 585.23400
Monoisotopic Mass 584.99026
InChI InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)
InChIKey CKRXVVGETMYFIO-UHFFFAOYSA-N
SMILES CCN(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-ethylperfluorooctane sulfonamidoacetic acid (CHEBI:83507) has role environmental contaminant (CHEBI:78298)
N-ethylperfluorooctane sulfonamidoacetic acid (CHEBI:83507) has role xenobiotic (CHEBI:35703)
N-ethylperfluorooctane sulfonamidoacetic acid (CHEBI:83507) is a monocarboxylic acid (CHEBI:25384)
N-ethylperfluorooctane sulfonamidoacetic acid (CHEBI:83507) is a organofluorine compound (CHEBI:37143)
N-ethylperfluorooctane sulfonamidoacetic acid (CHEBI:83507) is a sulfonamide (CHEBI:35358)
Synonym Source
2-(N-ethyl-perfluorooctane sulfonamido) acetic acid ChEBI
Registry Numbers Types Sources
1811212 Reaxys Registry Number Reaxys
2991-50-6 CAS Registry Number ChemIDplus
Last Modified
13 November 2014