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

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ChEBI Name 2-(N-morpholiniumyl)ethanesulfonate
ChEBI ID CHEBI:39408
ChEBI ASCII Name 2-(N-morpholiniumyl)ethanesulfonate
Definition A Good's buffer substance, pKa = 6.15 at 20 °C.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:39008, CHEBI:39009, CHEBI:44084
Supplier Information
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Formula C6H13NO4S
Net Charge 0
Average Mass 195.23776
Monoisotopic Mass 195.057
InChI InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
InChIKey SXGZJKUKBWWHRA-UHFFFAOYSA-N
SMILES [H][N+]1(CCOCC1)CCS([O-])(=O)=O
Roles Classification
Chemical Role(s): 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.
(via MES )
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ChEBI Ontology
Outgoing 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 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 Sources
2-(morpholin-4-ium-4-yl)ethanesulfonate IUPAC
2-(N-MORPHOLINO)-ETHANESULFONIC ACID PDBeChem
Manual Xrefs Databases
DB03814 DrugBank
MES PDBeChem
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Last Modified
29 November 2011