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3,4-dehydrothiomorpholine-3-carboxylate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2480

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

formula

C₅H₆NO₂S

charge

-1

mass

144.01247

reference

InChIKey

HRXJCQXGAHSUJC-UHFFFAOYSA-M

InChI

InChI=1S/C5H7NO2S/c7-5(8)4-3-9-2-1-6-4/h1-3H2,(H,7,8)/p-1

SMILES

O=C([O-])C1=NCCSC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:34-DEHYDRO-14-THIOMORPHOLINE-3-CARBOXY metacycM:34-DEHYDRO-14-THIOMORPHOLINE-3-CARBOXY CHEBI:58517 chebi:58517	3,4-dehydrothiomorpholine-3-carboxylate 5,6-dihydro-2H-1,4-thiazine-3-carboxylate
kegg.compound:C04445 keggC:C04445	3,4-Dehydrothiomorpholine-3-carboxylate
seed.compound:cpd02714 seedM:cpd02714	3,4-Dehydrothiomorpholine-3-carboxylate 3,4-dehydrothiomorpholine-3-carboxylate 5,6-dihydro-2H-1,4-thiazine-3-carboxylate
CHEBI:27626 chebi:27626	3,4-dehydrothiomorpholine-3-carboxylic acid 3,4-Dehydrothiomorpholine-3-carboxylate 3,4-dehydro-1,4-thiomorpholine-3-carboxylate 3,4-dehydrothiomorpholine-3-carboxylate 5,6-dihydro-2H-1,4-thiazine-3-carboxylic acid
chebi:11687 chebi:1370 chebi:19871 keggC:M_C04445 seedM:M_cpd02714	secondary/obsolete/fantasy identifier