propane-2-sulfonate (CHEBI:62080)

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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 .

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

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.

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

Registry Number	Type	Source
3904011	Reaxys Registry Number	Reaxys

Last Modified

07 April 2017