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CHEBI:61909 - ethanesulfonate

Default Structure
ChEBI IDCHEBI:61909
ChEBI Nameethanesulfonate
Stars
DefinitionAn alkanesulfonate in which the alkyl group directly linked to the sulfonate functionality is ethyl.
Last Modified7 April 2017
SubmitterEugeni Belda
DownloadsMolfile
FormulaC2H5O3S
Net Charge-1
Average Mass109.126
Monoisotopic Mass108.99649
SMILESCCS(=O)(=O)[O-]
InChIInChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)/p-1
InChIKeyCCIVGXIOQKPBKL-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)
ethanesulfonate (CHEBI:61909) is a 1,1-diunsubstituted alkanesulfonate (CHEBI:62081)
ethanesulfonate (CHEBI:61909) is conjugate base of ethanesulfonic acid (CHEBI:42465)
Incoming Relation(s)
ethanesulfonic acid (CHEBI:42465) is conjugate acid of ethanesulfonate (CHEBI:61909)
IUPAC Name 
ethanesulfonate
Synonyms  Source
1-ethanesulfonateChEBI
2-ethanesulfonateChEBI
ÄthansulfonatChEBI
ethanesulfonate anionChEBI
ethanesulfonic acid anionChEBI
ethane sulphonateChEBI
UniProt Name  Source
ethane-1-sulfonateUniProt
Manual XrefsDatabases
CPD-10434MetaCyc
Registry NumbersSources
Reaxys:1856042Reaxys