| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:19 UTC |
|---|
| Update Date | 2025-03-21 18:06:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00062908 |
|---|
| Frequency | 49.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8O5S |
|---|
| Molecular Mass | 180.0092 |
|---|
| SMILES | O=C(O)C(O)C(CS)C(=O)O |
|---|
| InChI Key | GXXFRAVWSPUMHF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkylthiolsalpha hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesorganosulfur compoundssecondary alcoholsshort-chain hydroxy acids and derivativesthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidefatty acidorganosulfur compoundcarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidehydroxy fatty acidalcoholbranched fatty acidthia fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativealkylthiolorganooxygen compound |
|---|
