| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:12 UTC |
|---|
| Update Date | 2025-03-21 18:38:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00120460 |
|---|
| Frequency | 21.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H23NO21S3 |
|---|
| Molecular Mass | 624.9925 |
|---|
| SMILES | COC1OC(COS(=O)(=O)O)C(OC2OC(COS(=O)(=O)O)C(O)C(C(=O)O)O2)C(O)C1NOS(=O)(=O)O |
|---|
| InChI Key | SEQXDHWUUWRRFE-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 acidshydrocarbon derivativesmonocarboxylic acids and 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 derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid estermeta-dioxaneorganooxygen compound |
|---|
