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CHEBI:17195 - thiomorpholine-3-carboxylic acid

ChEBI IDCHEBI:17195
ChEBI Namethiomorpholine-3-carboxylic acid
Stars
DefinitionA thiomorpholinemonocarboxylic acid having the carboxy group at the 3-position.
Secondary ChEBI IDCHEBI:9559
Last Modified15 November 2010
DownloadsMolfile
FormulaC5H9NO2S
Net Charge0
Average Mass147.199
Monoisotopic Mass147.03540
SMILESO=C(O)C1CSCCN1
InChIInChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)
InChIKeyJOKIQGQOKXGHDV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
thiomorpholine-3-carboxylic acid (CHEBI:17195) is a thiomorpholinemonocarboxylic acid (CHEBI:36223)
thiomorpholine-3-carboxylic acid (CHEBI:17195) is conjugate acid of thiomorpholine-3-carboxylate (CHEBI:15237)
thiomorpholine-3-carboxylic acid (CHEBI:17195) is tautomer of thiomorpholine-3-carboxylic acid zwitterion (CHEBI:58047)
Incoming Relation(s)
(R)-thiomorpholine-3-carboxylic acid (CHEBI:36394) is a thiomorpholine-3-carboxylic acid (CHEBI:17195)
(S)-thiomorpholine-3-carboxylic acid (CHEBI:36395) is a thiomorpholine-3-carboxylic acid (CHEBI:17195)
thiomorpholine-3-carboxylate (CHEBI:15237) is conjugate base of thiomorpholine-3-carboxylic acid (CHEBI:17195)
thiomorpholine-3-carboxylic acid zwitterion (CHEBI:58047) is tautomer of thiomorpholine-3-carboxylic acid (CHEBI:17195)
IUPAC Name 
thiomorpholine-3-carboxylic acid
Synonyms  Source
1,4-thiomorpholine-3-carboxylic acidChemIDplus
3-thiomorpholinecarboxylic acidChemIDplus
Thiomorpholine 3-carboxylateKEGG COMPOUND
Manual XrefsDatabases
C03901KEGG COMPOUND
Registry NumbersSources
Beilstein:878753Beilstein
CAS:20960-92-3KEGG COMPOUND
CAS:20960-92-3ChemIDplus