| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:18 UTC |
|---|
| Update Date | 2025-03-21 18:36:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00111072 |
|---|
| Frequency | 24.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H21NO19S2 |
|---|
| Molecular Mass | 559.0149 |
|---|
| SMILES | COC1OC(COS(=O)(=O)O)C(OC2OC(C(=O)O)C(O)C(C(=O)O)O2)C(O)C1NOS(=O)(=O)O |
|---|
| InChI Key | ORXZBGBQVXLWED-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 heteromonocyclic compounds |
|---|
| Alternative Parents | 1,3-dioxanesacetalsalkyl sulfatescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidortho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundorthocarboxylic acid derivativeoxaneorganoheterocyclic compoundalcoholorganic sulfuric acid or derivativesoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid estermeta-dioxaneorganooxygen compound |
|---|
