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CHEBI:39045 - 2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate

ChEBI IDCHEBI:39045
ChEBI Name2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate
Stars
Last Modified13 May 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H15NO5S
Net Charge0
Average Mass213.255
Monoisotopic Mass213.06709
SMILES[H][N+](CCO)(CCO)CCS(=O)(=O)[O-]
InChIInChI=1S/C6H15NO5S/c8-4-1-7(2-5-9)3-6-13(10,11)12/h8-9H,1-6H2,(H,10,11,12)
InChIKeyAJTVSSFTXWNIRG-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).
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate (CHEBI:39045) is a 1,1-diunsubstituted alkanesulfonate (CHEBI:62081)
2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate (CHEBI:39045) is a BES (CHEBI:39043)
2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate (CHEBI:39045) is conjugate acid of 2-[bis(2-hydroxyethyl)amino]ethanesulfonate (CHEBI:39046)
2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate (CHEBI:39045) is tautomer of 2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid (CHEBI:39041)
Incoming Relation(s)
2-[bis(2-hydroxyethyl)amino]ethanesulfonate (CHEBI:39046) is conjugate base of 2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate (CHEBI:39045)
2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid (CHEBI:39041) is tautomer of 2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate (CHEBI:39045)
IUPAC Name 
2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate