EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:39046 - 2-[bis(2-hydroxyethyl)amino]ethanesulfonate

ChEBI IDCHEBI:39046
ChEBI Name2-[bis(2-hydroxyethyl)amino]ethanesulfonate
Stars
Last Modified13 May 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H14NO5S
Net Charge-1
Average Mass212.247
Monoisotopic Mass212.05982
SMILESO=S(=O)([O-])CCN(CCO)CCO
InChIInChI=1S/C6H15NO5S/c8-4-1-7(2-5-9)3-6-13(10,11)12/h8-9H,1-6H2,(H,10,11,12)/p-1
InChIKeyAJTVSSFTXWNIRG-UHFFFAOYSA-M
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)amino]ethanesulfonate (CHEBI:39046) is a 1,1-diunsubstituted alkanesulfonate (CHEBI:62081)
2-[bis(2-hydroxyethyl)amino]ethanesulfonate (CHEBI:39046) is a BES (CHEBI:39043)
2-[bis(2-hydroxyethyl)amino]ethanesulfonate (CHEBI:39046) is conjugate base of 2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid (CHEBI:39041)
2-[bis(2-hydroxyethyl)amino]ethanesulfonate (CHEBI:39046) is conjugate base of 2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate (CHEBI:39045)
Incoming Relation(s)
2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid (CHEBI:39041) is conjugate acid of 2-[bis(2-hydroxyethyl)amino]ethanesulfonate (CHEBI:39046)
2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate (CHEBI:39045) is conjugate acid of 2-[bis(2-hydroxyethyl)amino]ethanesulfonate (CHEBI:39046)
IUPAC Name 
2-[bis(2-hydroxyethyl)amino]ethanesulfonate