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CHEBI:39036 - N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate

ChEBI IDCHEBI:39036
ChEBI NameN-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate
Stars
ASCII NameN-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate
DefinitionThe zwitterionic form of TES buffer.
Last Modified22 August 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H15NO6S
Net Charge0
Average Mass229.254
Monoisotopic Mass229.06201
SMILES[H][N+]([H])(CCS(=O)(=O)[O-])C(CO)(CO)CO
InChIInChI=1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)
InChIKeyJOCBASBOOFNAJA-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)
N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate (CHEBI:39036) is a TES (CHEBI:39035)
N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate (CHEBI:39036) is tautomer of N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid (CHEBI:44356)
Incoming Relation(s)
N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid (CHEBI:44356) is tautomer of N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate (CHEBI:39036)
IUPAC Name 
2-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate
Synonym  Source
TES bufferChEBI
Registry NumbersSources
Beilstein:3958939Beilstein