| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:36 UTC |
|---|
| Update Date | 2025-03-21 18:39:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00126069 |
|---|
| Frequency | 20.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10O4S |
|---|
| Molecular Mass | 178.03 |
|---|
| SMILES | O=C(O)C(=O)CCSCCO |
|---|
| InChI Key | SAJBOYDZJNEFHK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | short-chain keto acids and derivatives |
|---|
| Direct Parent | short-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alcohols and polyolsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundsthia fatty acids |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioethershort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetheralpha-keto acidhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
|---|
