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

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4-sulfanylbutanoate

	Properties	Image
MNX_ID	MNXM147831
reference	chebi:138358
formula	C₄H₇O₂S
global charge	-1
mol weight	119.165
InChIKey	DTRIDVOOPAQEEL-UHFFFAOYSA-M
InChI	InChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)/p-1
SMILES	O=C([O-])CCCS

MNX internals

InChI (mnx)	InChI=1/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)
SMILES (mnx)	[CH2:1]([CH2:2][C:4](=[O:5])[OH:6])[CH2:3][SH:7]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:138358 chebi:138358 DTRIDVOOPAQEEL-UHFFFAOYSA-M	4-sulfanylbutanoate 4-mercaptobutanoate 4-mercaptobutyrate 4-sulfanylbutyrate gamma-mercaptobutanoate gamma-mercaptobutyrate gamma-sulfanylbutyrate
hmdb:HMDB0246487 DTRIDVOOPAQEEL-UHFFFAOYSA-N	4-Mercaptobutyric acid 4-Mercaptobutanoate 4-Mercaptobutanoic acid 4-Mercaptobutyrate 4-Mercaptobutyrate monopotassium salt 4-Mercaptobutyrate monosodium salt 4-Mercaptobutyrate, calcium salt (2:1) 4-Mercaptobutyrate, magnesium salt (2:1) 4-Mercaptobutyrate, parent acid 4-Sulfanylbutanoate 4-Sulfanylbutyrate 4-Sulfanylbutyric acid 4-Sulphanylbutanoate 4-Sulphanylbutanoic acid 4-Sulphanylbutyrate 4-Sulphanylbutyric acid 4-sulfanylbutanoic acid butanoic acid, 4-mercapto- g-Mercaptobutanoate g-Mercaptobutanoic acid g-Mercaptobutyrate g-Mercaptobutyric acid g-Sulfanylbutyrate g-Sulfanylbutyric acid g-Sulphanylbutyrate g-Sulphanylbutyric acid gamma-Mercaptobutanoate gamma-Mercaptobutanoic acid gamma-Mercaptobutyrate gamma-Mercaptobutyric acid gamma-Sulfanylbutyrate gamma-Sulfanylbutyric acid gamma-Sulphanylbutyrate gamma-Sulphanylbutyric acid gamma-mercaptobutanoate gamma-mercaptobutanoic acid gamma-mercaptobutyrate gamma-mercaptobutyric acid gamma-sulfanylbutyrate gamma-sulfanylbutyric acid gamma-sulphanylbutyrate gamma-sulphanylbutyric acid
kegg.compound:C21736 keggC:C21736 DTRIDVOOPAQEEL-UHFFFAOYSA-N	4-Sulfanylbutanoate
seed.compound:cpd31530 seedM:cpd31530 DTRIDVOOPAQEEL-UHFFFAOYSA-M	4-mercaptobutanoate 4-mercaptobutanoic acid 4-mercaptobutyrate 4-sulfanylbutanoate 4-thiobutanoic acid 4-thiobutyric acid
metacyc.compound:CPD-16589 metacycM:CPD-16589 DTRIDVOOPAQEEL-UHFFFAOYSA-M	4-sulfanylbutanoate 4-mercaptobutanoate 4-mercaptobutanoic acid 4-mercaptobutyrate 4-thiobutanoic acid 4-thiobutyric acid
CHEBI:138400 chebi:138400 DTRIDVOOPAQEEL-UHFFFAOYSA-N	4-sulfanylbutanoic acid 4-mercaptobutanoic acid 4-mercaptobutyric acid 4-sulfanylbutyric acid gamma-mercaptobutanoic acid gamma-mercaptobutyric acid gamma-sulfanylbutyric acid
keggC:M_C21736 seedM:M_cpd31530	secondary/obsolete/fantasy identifier