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CHEBI:195233 - diethyl 2-sulfanylbutanedioate
| Formula | C8H14O4S |
| Net Charge | 0 |
| Average Mass | 206.263 |
| Monoisotopic Mass | 206.06128 |
| SMILES | CCOC(=O)CC(S)C(=O)OCC |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ochrobactrum sp. M1D (ncbitaxon:1798144) | - | PubMed (34060111) |
| Roles Classification |
|---|
| Biological Roles: | bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate (CHEBI:141474) has functional parent diethyl 2-sulfanylbutanedioate (CHEBI:195233) |
| IUPAC Name |
|---|
| diethyl 2-sulfanylbutanedioate |
| Synonyms | Source |
|---|---|
| diethyl 2-mercaptobutanedioate | IUPAC |
| FEMA 4972 | ChEBI |
| diethyl 2-mercaptosuccinate | ChEBI |
| diethyl mercaptosuccinate | ChEBI |
| mercaptosuccinic acid diethyl ester | ChEBI |
| 2-mercaptosuccinic acid diethyl ester | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1779749 | Reaxys |
| CAS:23060-14-2 | NIST Chemistry WebBook |
| Citations |
|---|