| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:22 UTC |
|---|
| Update Date | 2025-03-25 01:01:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02250235 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O4S |
|---|
| Molecular Mass | 176.0143 |
|---|
| SMILES | O=C(S)C=C(O)CCC(=O)O |
|---|
| InChI Key | NZHYCVQVOBKUAF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | medium-chain hydroxy acids and derivatives |
|---|
| Direct Parent | medium-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkylthiolscarbodithioic acidscarbonyl compoundscarbothioic s-acidscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsthiocarboxylic acids and derivativesthiolactonesvinylogous acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupthiocarboxylic acid or derivativescarboxylic acidcarbodithioic acidorganosulfur compoundcarboxylic acid derivativemedium-chain hydroxy acidcarbothioic s-acidvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidthiolactonealkylthiolorganooxygen compound |
|---|
