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CHEBI:62080 - propane-2-sulfonate

ChEBI IDCHEBI:62080
ChEBI Namepropane-2-sulfonate
Stars
DefinitionAn alkanesulfonate that is obtained by removal of a proton from the sulfonic acid group of propane-2-sulfonic acid .
Last Modified7 April 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC3H7O3S
Net Charge-1
Average Mass123.153
Monoisotopic Mass123.01214
SMILESCC(C)S(=O)(=O)[O-]
InChIInChI=1S/C3H8O3S/c1-3(2)7(4,5)6/h3H,1-2H3,(H,4,5,6)/p-1
InChIKeyHNDXKIMMSFCCFW-UHFFFAOYSA-M
Roles Classification
Biological Role:
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 Relation(s)
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 Relation(s)
propane-2-sulphonic acid (CHEBI:62079) is conjugate acid of propane-2-sulfonate (CHEBI:62080)
IUPAC Name 
propane-2-sulfonate
Synonyms  Source
2-propanesulfonateChEBI
isopropylsulfonateChEBI
isopropanesulfonateChEBI
Registry NumbersSources
Reaxys:3904011Reaxys