diethyl 2-sulfanylbutanedioate (CHEBI:195233)

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ChEBI Name	diethyl 2-sulfanylbutanedioate

ChEBI ID	CHEBI:195233

Definition	A diester resulting from the formal condensation of the carboxy groups of thiomalic acid with ethanol. It is a metabolite of the insecticide malathion.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H14O4S

Net Charge

Average Mass

206.260

Monoisotopic Mass

206.06128

InChI

InChI=1S/C8H14O4S/c1-3-11-7(9)5-6(13)8(10)12-4-2/h6,13H,3-5H2,1-2H3

InChIKey

KLXFSKITMRWDPM-UHFFFAOYSA-N

SMILES

CCOC(=O)CC(S)C(=O)OCC

Metabolite of Species	Details
Ochrobactrum sp. M1D (NCBI:txid1798144)	See: PubMed

Roles Classification
Biological Role(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	diethyl 2-sulfanylbutanedioate (CHEBI:195233) has functional parent thiomalic acid (CHEBI:38705) diethyl 2-sulfanylbutanedioate (CHEBI:195233) has role bacterial xenobiotic metabolite (CHEBI:76976) diethyl 2-sulfanylbutanedioate (CHEBI:195233) has role flavouring agent (CHEBI:35617) diethyl 2-sulfanylbutanedioate (CHEBI:195233) is a diester (CHEBI:51307) diethyl 2-sulfanylbutanedioate (CHEBI:195233) is a ethyl ester (CHEBI:23990)

Incoming	diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate (CHEBI:141474) has functional parent diethyl 2-sulfanylbutanedioate (CHEBI:195233)

IUPAC Name

diethyl 2-sulfanylbutanedioate

Synonyms	Sources
1,4-diethyl 2-sulfanylbutanedioate	ChEBI
2-mercaptosuccinic acid diethyl ester	ChEBI
diethyl 2-mercaptobutanedioate	IUPAC
diethyl 2-mercaptosuccinate	ChEBI
diethyl mercaptosuccinate	ChEBI
FEMA 4972	ChEBI
mercaptosuccinic acid diethyl ester	ChEBI

Last Modified

17 May 2023