| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 00:14:41 UTC |
|---|
| Update Date | 2025-03-21 18:33:44 UTC |
|---|
| HMDB ID | HMDB0031162 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00097297 |
|---|
| Name | 3,3'-Thiobispropanoic acid |
|---|
| Frequency | 28.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10O4S |
|---|
| Molecular Mass | 178.03 |
|---|
| SMILES | O=C(O)CCSCCC(=O)O |
|---|
| InChI Key | ODJQKYXPKWQWNK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | dicarboxylic acids and derivatives |
|---|
| Direct Parent | dicarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesorganic oxidessulfenyl compounds |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
