CHEBI:44356 - N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid

ChEBI IDCHEBI:44356
ChEBI NameN-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid
Stars
ASCII NameN-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid
DefinitionA Good's buffer substance, pKa = 7.5 at 20 °C.
Secondary ChEBI IDsCHEBI:292, CHEBI:44353
Last Modified2 September 2015
DownloadsMolfile
FormulaC6H15NO6S
Net Charge0
Average Mass229.254
Monoisotopic Mass229.06201
SMILESO=S(=O)(O)CCNC(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 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).
ChEBI Ontology
Outgoing Relation(s)
N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid (CHEBI:44356) has functional parent taurine (CHEBI:15891)
N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid (CHEBI:44356) is a amino sulfonic acid (CHEBI:37793)
N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid (CHEBI:44356) is a ethanolamines (CHEBI:23981)
N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid (CHEBI:44356) is a TES (CHEBI:39035)
N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid (CHEBI:44356) is tautomer of N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate (CHEBI:39036)
Incoming Relation(s)
N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate (CHEBI:39036) is tautomer of N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid (CHEBI:44356)
IUPAC Name 
2-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}ethanesulfonic acid
Synonyms  Source
TESKEGG COMPOUND
tris(hydroxymethyl)methyl-2-aminomethane sulfonic acidChemIDplus
N-Tris[hydroxymethyl]methyl-2-aminoethanesulfonic acidKEGG COMPOUND
2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACIDPDBeChem
2-(tris(hydroxymethyl)methylamino)ethane-1-sulphonic acidChemIDplus
TES bufferChEBI
Manual XrefsDatabases
C05353KEGG COMPOUND
NESPDBeChem
DB02371DrugBank
Registry NumbersSources
Beilstein:1957061Beilstein
CAS:7365-44-8KEGG COMPOUND
CAS:7365-44-8ChemIDplus