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

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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, pK_a = 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

Average Mass

195.23776

Monoisotopic Mass

195.05653

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 )

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

Last Modified

29 November 2011