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> Main
CHEBI:61904 - isethionate
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ChEBI Ontology
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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
)
View more via ChEBI Ontology
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
View more database links
Last Modified
07 April 2017