| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:51 UTC |
|---|
| Update Date | 2025-03-21 18:28:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00071370 |
|---|
| Frequency | 42.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10O9S |
|---|
| Molecular Mass | 258.0046 |
|---|
| SMILES | O=C(CCC(O)C(=O)O)OCOS(=O)(=O)O |
|---|
| InChI Key | YLYWCVLMPRAWFH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | sulfated fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkyl sulfatesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativessulfuric acid monoesters |
|---|
| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxidealkyl sulfatehydroxy fatty acidalcoholorganic sulfuric acid or derivativeshydroxy acidfatty acid esterorganic oxygen compoundsulfated fatty acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
|---|
