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ChEBI
> Main
CHEBI:83493 - perfluoroundecanoic acid
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ChEBI Name
perfluoroundecanoic acid
ChEBI ID
CHEBI:83493
Definition
A fluoroalkanoic acid that is perfluorinated undecanoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C11HF21O2
Net Charge
0
Average Mass
564.09090
Monoisotopic Mass
563.96412
InChI
InChI=1S/C11HF21O2/c12-
2(13,1(33)
34)
3(14,15)
4(16,17)
5(18,19)
6(20,21)
7(22,23)
8(24,25)
9(26,27)
10(28,29)
11(30,31)
32/h(H,33,34)
InChIKey
SIDINRCMMRKXGQ-UHFFFAOYSA-N
SMILES
OC(=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)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
perfluoroundecanoic acid (
CHEBI:83493
)
has functional parent
undecanoic acid (
CHEBI:32368
)
perfluoroundecanoic acid (
CHEBI:83493
)
has role
environmental contaminant (
CHEBI:78298
)
perfluoroundecanoic acid (
CHEBI:83493
)
has role
xenobiotic (
CHEBI:35703
)
perfluoroundecanoic acid (
CHEBI:83493
)
is a
fluoroalkanoic acid (
CHEBI:35551
)
IUPAC Name
henicosafluoroundecanoic acid
Registry Numbers
Types
Sources
2058-94-8
CAS Registry Number
ChemIDplus
2318888
Reaxys Registry Number
Reaxys
Citations
Types
Sources
24418714
PubMed citation
Europe PMC
24486970
PubMed citation
Europe PMC
24952613
PubMed citation
Europe PMC
Last Modified
12 November 2014