| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:17 UTC |
|---|
| Update Date | 2025-03-25 00:56:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02220553 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O5S |
|---|
| Molecular Mass | 232.0405 |
|---|
| SMILES | O=C(O)CSC1C=CCC(O)(C(=O)O)C1 |
|---|
| InChI Key | LRUCZQZBKMEICC-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 homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesorganic oxidessulfenyl compoundstertiary alcohols |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetheralpha-hydroxy acidhydroxy acidorganosulfur compoundtertiary alcoholorganic oxideorganic oxygen compoundthioetheraliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
