| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:37:55 UTC |
|---|
| Update Date | 2025-03-21 17:57:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00010642 |
|---|
| Frequency | 441.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8O8S |
|---|
| Molecular Mass | 227.994 |
|---|
| SMILES | O=C(O)CC(O)CC(=O)OS(=O)(=O)O |
|---|
| InChI Key | GKEDOFUJCVMRIE-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 | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativessulfuric acid monoesters |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesshort-chain hydroxy acidfatty acidcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidsulfuric acid esterorganooxygen compound |
|---|
