MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

(3R)-1,4-thiomorpholine-3-carboxylate

	Properties	Image
MNX_ID	MNXM2566
reference	chebi:176873
formula	C₅H₉NO₂S
global charge	0
mol weight	147.199
InChIKey	JOKIQGQOKXGHDV-BYPYZUCNSA-N
InChI	InChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
SMILES	O=C([O-])[C@@H]1CSCC[NH2+]1

MNX internals

InChI (mnx)	InChI=1/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
SMILES (mnx)	[CH2:1]1[CH2:2][S:9][CH2:3][C@@H:4]([C:5](=[O:7])[OH:8])[NH:6]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:176873 chebi:176873 JOKIQGQOKXGHDV-BYPYZUCNSA-N	(3R)-1,4-thiomorpholine-3-carboxylate (3R)-1,4-thiomorpholine-3-carboxylic acid zwitterion
CHEBI:36394 chebi:36394 JOKIQGQOKXGHDV-BYPYZUCNSA-N	(R)-thiomorpholine-3-carboxylic acid (3R)-thiomorpholine-3-carboxylic acid
kegg.compound:C03901 keggC:C03901 vmhM:tmln3c vmhmetabolite:tmln3c JOKIQGQOKXGHDV-UHFFFAOYSA-N	Thiomorpholine 3-carboxylate
hmdb:HMDB0059611 JOKIQGQOKXGHDV-UHFFFAOYSA-N	Thiomorpholine 3-carboxylate 1,4-TMCA 1,4-Thiomorpholine-3-carboxylate 1,4-Thiomorpholine-3-carboxylic acid 3-Thiomorpholinecarboxylate 3-Thiomorpholinecarboxylic acid Thiomorpholine 3-carboxylic acid Thiomorpholine-3-carboxylate thiomorpholine 3-carboxylate thiomorpholine-3-carboxylic acid
seed.compound:cpd02427 seedM:cpd02427 JOKIQGQOKXGHDV-UHFFFAOYSA-N	Thiomorpholine 3-carboxylate thiomorpholine-3-carboxylate
metacyc.compound:THIOMORPHOLINE-3-CARBOXYLATE metacycM:THIOMORPHOLINE-3-CARBOXYLATE CHEBI:15237 chebi:15237 JOKIQGQOKXGHDV-UHFFFAOYSA-M JOKIQGQOKXGHDV-UHFFFAOYSA-N	thiomorpholine-3-carboxylate
CHEBI:58047 chebi:58047 JOKIQGQOKXGHDV-UHFFFAOYSA-N	thiomorpholine-3-carboxylate thiomorpholin-4-ium-3-carboxylate thiomorpholine-3-carboxylic acid zwitterion
CHEBI:17195 chebi:17195 JOKIQGQOKXGHDV-UHFFFAOYSA-N	thiomorpholine-3-carboxylic acid 1,4-thiomorpholine-3-carboxylic acid 3-thiomorpholinecarboxylic acid Thiomorpholine 3-carboxylate
hmdb:HMDB59611 chebi:9559 keggC:M_C03901 seedM:M_cpd02427 vmhM:M_tmln3c	secondary/obsolete/fantasy identifier