CHEBI:1157 - isethionic acid

Main ChEBI Ontology Automatic Xrefs
ChEBI Name isethionic acid
ChEBI ID CHEBI:1157
Definition An alkanesulfonic acid in which the sulfo group is directly linked to a 2-hydroxyethyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C2H6O4S
Net Charge 0
Average Mass 126.13200
InChI InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)
InChIKey SUMDYPCJJOFFON-UHFFFAOYSA-N
SMILES OCCS(O)(=O)=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing isethionic acid (CHEBI:1157) has role human metabolite (CHEBI:77746)
isethionic acid (CHEBI:1157) is a alkanesulfonic acid (CHEBI:47901)
isethionic acid (CHEBI:1157) is conjugate acid of isethionate (CHEBI:61904)
Incoming isethionate (CHEBI:61904) is conjugate base of isethionic acid (CHEBI:1157)
IUPAC Name
2-hydroxyethanesulfonic acid
Synonyms Sources
2-Hydroxyethane-1-sulfonic acid KEGG COMPOUND
2-Hydroxyethanesulfonic acid KEGG COMPOUND
2-hydroxyethylsulfonic acid ChEBI
β-hydroxyethanesulfonic acid ChEBI
Database Links Databases
C05123 KEGG COMPOUND
CPD-3745 MetaCyc
HMDB03903 HMDB
Isethionic_acid Wikipedia
View more database links
Registry Numbers Types Sources
107-36-8 CAS Registry Number KEGG COMPOUND
107-36-8 CAS Registry Number ChemIDplus
1751214 Reaxys Registry Number Reaxys
Last Modified
29 January 2014