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CHEBI:61904 - isethionate

ChEBI IDCHEBI:61904
ChEBI Nameisethionate
Stars
DefinitionThe alkanesulfonate that is the anion formed from isethionic acid by loss of a proton from the sulfo group; major microspecies at pH 7.3.
Last Modified7 April 2017
SubmitterEugeni Belda
DownloadsMolfile
FormulaC2H5O4S
Net Charge-1
Average Mass125.125
Monoisotopic Mass124.99140
SMILESO=S(=O)([O-])CCO
InChIInChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)/p-1
InChIKeySUMDYPCJJOFFON-UHFFFAOYSA-M
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
isethionate (CHEBI:61904) is a 1,1-diunsubstituted alkanesulfonate (CHEBI:62081)
isethionate (CHEBI:61904) is conjugate base of isethionic acid (CHEBI:1157)
Incoming Relation(s)
isethionic acid (CHEBI:1157) is conjugate acid of isethionate (CHEBI:61904)
Synonyms  Source
2-Hydroxyethanesulfonate(1−)SUBMITTER
Isethionate(1−)SUBMITTER
UniProt Name  Source
2-hydroxyethane-1-sulfonateUniProt
Manual XrefsDatabases
CPD-3745MetaCyc