CHEBI:1157 - isethionic acid

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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. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C2H6O4S Net Charge 0 Average Mass 126.13200 Monoisotopic Mass 125.99868 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). View more via ChEBI Ontology 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 Manual Xrefs Databases C05123 KEGG COMPOUND CPD-3745 MetaCyc HMDB0003903 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 23 October 2015