CHEBI:39408 - 2-(N-morpholiniumyl)ethanesulfonate

ChEBI IDCHEBI:39408
ChEBI Name2-(N-morpholiniumyl)ethanesulfonate
Stars
ASCII Name2-(N-morpholiniumyl)ethanesulfonate
DefinitionA Good's buffer substance, pKa = 6.15 at 20 °C.
Secondary ChEBI IDsCHEBI:39008, CHEBI:39009, CHEBI:44084
Last Modified29 November 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H13NO4S
Net Charge0
Average Mass195.240
Monoisotopic Mass195.05653
SMILES[H][N+]1(CCS(=O)(=O)[O-])CCOCC1
InChIInChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
InChIKeySXGZJKUKBWWHRA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Good's buffer substance  Any member of a collection of zwitterionic buffer substances selected or devised for suitability in experimental biological systems according to a number of predetermined criteria. Named after Dr. Norman Good.
ChEBI Ontology
Outgoing Relation(s)
2-(N-morpholiniumyl)ethanesulfonate (CHEBI:39408) is a MES (CHEBI:39010)
2-(N-morpholiniumyl)ethanesulfonate (CHEBI:39408) is a zwitterion (CHEBI:27369)
2-(N-morpholiniumyl)ethanesulfonate (CHEBI:39408) is conjugate acid of 2-(N-morpholino)ethanesulfonate (CHEBI:39006)
2-(N-morpholiniumyl)ethanesulfonate (CHEBI:39408) is tautomer of 2-(N-morpholino)ethanesulfonic acid (CHEBI:39005)
Incoming Relation(s)
2-(N-morpholino)ethanesulfonate (CHEBI:39006) is conjugate base of 2-(N-morpholiniumyl)ethanesulfonate (CHEBI:39408)
2-(N-morpholino)ethanesulfonic acid (CHEBI:39005) is tautomer of 2-(N-morpholiniumyl)ethanesulfonate (CHEBI:39408)
IUPAC Name 
2-morpholin-4-ium-4-ylethanesulfonate
Synonyms  Source
2-(N-MORPHOLINO)-ETHANESULFONIC ACIDPDBeChem
2-(morpholin-4-ium-4-yl)ethanesulfonateIUPAC
Manual XrefsDatabases
MESPDBeChem
DB03814DrugBank