EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:57779 - tauropinate(1−)

ChEBI IDCHEBI:57779
ChEBI Nametauropinate(1−)
Stars
ASCII Nametauropinate(1-)
DefinitionConjugate base of tauropine in which the carboxy and sulfo groups are anionic and the amino group is protonated; major species at pH 7.3.
Last Modified3 August 2015
DownloadsMolfile
FormulaC5H10NO5S
Net Charge-1
Average Mass196.204
Monoisotopic Mass196.02852
SMILESC[C@@H]([NH2+]CCS(=O)(=O)[O-])C(=O)[O-]
InChIInChI=1S/C5H11NO5S/c1-4(5(7)8)6-2-3-12(9,10)11/h4,6H,2-3H2,1H3,(H,7,8)(H,9,10,11)/p-1/t4-/m1/s1
InChIKeyVHYQDLYSULDZSO-SCSAIBSYSA-M
ChEBI Ontology
Outgoing Relation(s)
tauropinate(1−) (CHEBI:57779) is a L-α-amino acid anion (CHEBI:59814)
tauropinate(1−) (CHEBI:57779) is a organosulfonate oxoanion (CHEBI:33554)
tauropinate(1−) (CHEBI:57779) is conjugate base of tauropine (CHEBI:16461)
Incoming Relation(s)
tauropine (CHEBI:16461) is conjugate acid of tauropinate(1−) (CHEBI:57779)
IUPAC Name 
(2R)-2-[(2-sulfonatoethyl)azaniumyl]propanoate
Synonyms  Source
tauropinate anionChEBI
tauropine anionChEBI
(2R)-2-[(2-sulfonatoethyl)ammonio]propanoateChEBI
UniProt Name  Source
tauropineUniProt