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ChEBI
> Main
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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Molfile
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 (Br
o
nsted 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
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
Type
Source
24468635
PubMed citation
Europe PMC
Last Modified
03 August 2017