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CHEBI:46755 - 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate

ChEBI IDCHEBI:46755
ChEBI Name2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate
Stars
DefinitionA HEPES that is ethanesulfonate substituted by a 4-(2-hydroxyethyl)piperazin-4-ium-1-yl group at position 2.
Last Modified16 July 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H18N2O4S
Net Charge0
Average Mass238.309
Monoisotopic Mass238.09873
SMILES[H][N+]1(CCO)CCN(CCS(=O)(=O)[O-])CC1
InChIInChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKeyJKMHFZQWWAIEOD-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
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.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate (CHEBI:46755) is a HEPES (CHEBI:46756)
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate (CHEBI:46755) is conjugate acid of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate (CHEBI:46757)
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate (CHEBI:46755) is tautomer of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (CHEBI:42334)
Incoming Relation(s)
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate (CHEBI:46757) is conjugate base of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate (CHEBI:46755)
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (CHEBI:42334) is tautomer of 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate (CHEBI:46755)
IUPAC Name 
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate