CHEBI:61904 - isethionate

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ChEBI Name isethionate
ChEBI ID CHEBI:61904
Definition The alkanesulfonate that is the anion formed from isethionic acid by loss of a proton from the sulfo group; major microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
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Formula C2H5O4S
Net Charge -1
Average Mass 125.12400
Monoisotopic Mass 124.99140
InChI InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)/p-1
InChIKey SUMDYPCJJOFFON-UHFFFAOYSA-M
SMILES OCCS([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.
(via 1,1-diunsubstituted alkanesulfonate )
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ChEBI Ontology
Outgoing isethionate (CHEBI:61904) is a 1,1-diunsubstituted alkanesulfonate (CHEBI:62081)
isethionate (CHEBI:61904) is conjugate base of isethionic acid (CHEBI:1157)
Incoming isethionic acid (CHEBI:1157) is conjugate acid of isethionate (CHEBI:61904)
Synonyms Sources
2-hydroxyethane-1-sulfonate UniProt
2-Hydroxyethanesulfonate(1−) SUBMITTER
Isethionate(1−) SUBMITTER
Manual Xref Database
CPD-3745 MetaCyc
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Last Modified
07 April 2017