EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:58517 - 3,4-dehydrothiomorpholine-3-carboxylate

ChEBI IDCHEBI:58517
ChEBI Name3,4-dehydrothiomorpholine-3-carboxylate
Stars
DefinitionConjugate base of 3,4-dehydrothiomorpholine-3-carboxylic acid.
Last Modified1 June 2017
DownloadsMolfile
FormulaC5H6NO2S
Net Charge-1
Average Mass144.175
Monoisotopic Mass144.01247
SMILESO=C([O-])C1=NCCSC1
InChIInChI=1S/C5H7NO2S/c7-5(8)4-3-9-2-1-6-4/h1-3H2,(H,7,8)/p-1
InChIKeyHRXJCQXGAHSUJC-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3,4-dehydrothiomorpholine-3-carboxylate (CHEBI:58517) is a monocarboxylic acid anion (CHEBI:35757)
3,4-dehydrothiomorpholine-3-carboxylate (CHEBI:58517) is conjugate base of 3,4-dehydrothiomorpholine-3-carboxylic acid (CHEBI:27626)
Incoming Relation(s)
3,4-dehydrothiomorpholine-3-carboxylic acid (CHEBI:27626) is conjugate acid of 3,4-dehydrothiomorpholine-3-carboxylate (CHEBI:58517)
IUPAC Name 
5,6-dihydro-2H-1,4-thiazine-3-carboxylate
UniProt Name  Source
3,4-dehydrothiomorpholine-3-carboxylateUniProt