| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:46:12 UTC |
|---|
| Update Date | 2025-03-25 00:48:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02169765 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O4S |
|---|
| Molecular Mass | 192.0456 |
|---|
| SMILES | CCOC(=O)C(C)SCC(=O)O |
|---|
| InChI Key | ARWPEJIURRSMPA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | dicarboxylic acids and derivatives |
|---|
| Direct Parent | thiodiacetic acid derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylthioethershydrocarbon derivativesorganic oxidessulfenyl compounds |
|---|
| Substituents | aliphatic acyclic compoundthiodiacetic_acidcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxideorganic oxygen compoundthioethercarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
