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CHEBI:62080 - propane-2-sulfonate
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ChEBI Name
propane-2-sulfonate
ChEBI ID
CHEBI:62080
Definition
An alkanesulfonate that is obtained by removal of a proton from the sulfonic acid group of propane-2-sulfonic acid .
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This entity has been manually annotated by the ChEBI Team.
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Formula
C3H7O3S
Net Charge
-1
Average Mass
123.15100
Monoisotopic Mass
123.01214
InChI
InChI=1S/C3H8O3S/c1-3(2)7(4,5)6/h3H,1-2H3,(H,4,5,6)/p-1
InChIKey
HNDXKIMMSFCCFW-UHFFFAOYSA-M
SMILES
CC(C)S([O-])(=O)=O
Roles Classification
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
propane-2-sulfonate (
CHEBI:62080
)
has role
xenobiotic (
CHEBI:35703
)
propane-2-sulfonate (
CHEBI:62080
)
is a
alkanesulfonate oxoanion (
CHEBI:134249
)
propane-2-sulfonate (
CHEBI:62080
)
is conjugate base of
propane-2-sulphonic acid (
CHEBI:62079
)
Incoming
propane-2-sulphonic acid (
CHEBI:62079
)
is conjugate acid of
propane-2-sulfonate (
CHEBI:62080
)
IUPAC Name
propane-2-sulfonate
Synonyms
Sources
2-propanesulfonate
ChEBI
isopropanesulfonate
ChEBI
isopropylsulfonate
ChEBI
Registry Number
Type
Source
3904011
Reaxys Registry Number
Reaxys
Last Modified
07 April 2017