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

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ChEBI Name 3,4-dehydrothiomorpholine-3-carboxylate
ChEBI ID CHEBI:58517
Definition Conjugate base of 3,4-dehydrothiomorpholine-3-carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H6NO2S
Net Charge -1
Average Mass 144.17200
Monoisotopic Mass 144.01247
InChI InChI=1S/C5H7NO2S/c7-5(8)4-3-9-2-1-6-4/h1-3H2,(H,7,8)/p-1
InChIKey HRXJCQXGAHSUJC-UHFFFAOYSA-M
SMILES [O-]C(=O)C1=NCCSC1
ChEBI Ontology
Outgoing 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 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
Synonym Source
3,4-dehydrothiomorpholine-3-carboxylate UniProt
Last Modified
01 June 2017