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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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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