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CHEBI:36397 - thiomorpholine-3,5-dicarboxylic acid

Default Structure
ChEBI IDCHEBI:36397
ChEBI Namethiomorpholine-3,5-dicarboxylic acid
Stars
Last Modified18 May 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H9NO4S
Net Charge0
Average Mass191.208
Monoisotopic Mass191.02523
SMILESO=C(O)C1CSCC(C(=O)O)N1
InChIInChI=1S/C6H9NO4S/c8-5(9)3-1-12-2-4(7-3)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)
InChIKeyMHRLWUPLSHYLOK-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-3,5-dicarboxylic acid (CHEBI:36397) is a dicarboxylic acid (CHEBI:35692)
thiomorpholine-3,5-dicarboxylic acid (CHEBI:36397) is a sulfur-containing carboxylic acid (CHEBI:33576)
thiomorpholine-3,5-dicarboxylic acid (CHEBI:36397) is a thiomorpholines (CHEBI:36393)
Incoming Relation(s)
(3R,5R)-thiomorpholine-3,5-dicarboxylic acid (CHEBI:36400) is a thiomorpholine-3,5-dicarboxylic acid (CHEBI:36397)
(3R,5S)-thiomorpholine-3,5-dicarboxylic acid (CHEBI:36398) is a thiomorpholine-3,5-dicarboxylic acid (CHEBI:36397)
(3S,5S)-thiomorpholine-3,5-dicarboxylic acid (CHEBI:36399) is a thiomorpholine-3,5-dicarboxylic acid (CHEBI:36397)
IUPAC Name 
thiomorpholine-3,5-dicarboxylic acid
Synonym  Source
1,4-thiomorpholine-3,5-dicarboxylic acidChemIDplus
Registry NumbersSources
CAS:91828-95-4ChemIDplus