| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:39 UTC |
|---|
| Update Date | 2025-03-21 18:01:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00030477 |
|---|
| Frequency | 122.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10O5S |
|---|
| Molecular Mass | 194.0249 |
|---|
| SMILES | O=C(O)CCSCC(O)C(=O)O |
|---|
| InChI Key | GMYUPSOKTYWPEA-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcoholssulfenyl compounds |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetheralpha-hydroxy acidmonosaccharidehydroxy acidorganosulfur compoundsaccharideorganic oxideorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
