EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:58047 - thiomorpholine-3-carboxylic acid zwitterion

ChEBI IDCHEBI:58047
ChEBI Namethiomorpholine-3-carboxylic acid zwitterion
Stars
DefinitionZwitterionic form of thiomorpholine-3-carboxylic acid arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
Last Modified1 June 2017
DownloadsMolfile
FormulaC5H9NO2S
Net Charge0
Average Mass147.199
Monoisotopic Mass147.03540
SMILESO=C([O-])C1CSCC[NH2+]1
InChIInChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)
InChIKeyJOKIQGQOKXGHDV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
thiomorpholine-3-carboxylic acid zwitterion (CHEBI:58047) is a amino-acid zwitterion (CHEBI:35238)
thiomorpholine-3-carboxylic acid zwitterion (CHEBI:58047) is conjugate acid of thiomorpholine-3-carboxylate (CHEBI:15237)
thiomorpholine-3-carboxylic acid zwitterion (CHEBI:58047) is tautomer of thiomorpholine-3-carboxylic acid (CHEBI:17195)
Incoming Relation(s)
(3R)-1,4-thiomorpholine-3-carboxylic acid zwitterion (CHEBI:176873) is a thiomorpholine-3-carboxylic acid zwitterion (CHEBI:58047)
thiomorpholine-3-carboxylate (CHEBI:15237) is conjugate base of thiomorpholine-3-carboxylic acid zwitterion (CHEBI:58047)
thiomorpholine-3-carboxylic acid (CHEBI:17195) is tautomer of thiomorpholine-3-carboxylic acid zwitterion (CHEBI:58047)
IUPAC Name 
thiomorpholin-4-ium-3-carboxylate
UniProt Name  Source
thiomorpholine-3-carboxylateUniProt