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CHEBI:39060 - N-(2-acetamido)-2-aminoethanesulfonic acid

Default Structure
ChEBI IDCHEBI:39060
ChEBI NameN-(2-acetamido)-2-aminoethanesulfonic acid
Stars
ASCII NameN-(2-acetamido)-2-aminoethanesulfonic acid
DefinitionA Good's buffer substance, pKa = 6.9 at 20 °C.
Last Modified3 October 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H10N2O4S
Net Charge0
Average Mass182.201
Monoisotopic Mass182.03613
SMILESNC(=O)CNCCS(=O)(=O)O
InChIInChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)
InChIKeyDBXNUXBLKRLWFA-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-(2-acetamido)-2-aminoethanesulfonic acid (CHEBI:39060) is a ACES (CHEBI:39061)
N-(2-acetamido)-2-aminoethanesulfonic acid (CHEBI:39060) is a amino sulfonic acid (CHEBI:37793)
N-(2-acetamido)-2-aminoethanesulfonic acid (CHEBI:39060) is tautomer of 2-[(2-amino-2-oxoethyl)ammonio]ethanesulfonate (CHEBI:39062)
Incoming Relation(s)
2-[(2-amino-2-oxoethyl)ammonio]ethanesulfonate (CHEBI:39062) is tautomer of N-(2-acetamido)-2-aminoethanesulfonic acid (CHEBI:39060)
IUPAC Name 
2-[(2-amino-2-oxoethyl)amino]ethanesulfonic acid
Synonyms  Source
N-(2-acetamido)-2-aminoethanesulfonic acidChemIDplus
N-(carbamoylmethyl)taurineChemIDplus
Registry NumbersSources
Beilstein:2253770Beilstein
CAS:7365-82-4ChemIDplus