| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:17:18 UTC |
|---|
| Update Date | 2025-03-21 18:35:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00103748 |
|---|
| Frequency | 26.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H13NO9S |
|---|
| Molecular Mass | 299.0311 |
|---|
| SMILES | CC(=O)NC1C(O)CC(OS(=O)(=O)O)OC1C(=O)O |
|---|
| InChI Key | LOAWGLWNQNVKPG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyran carboxylic acids and derivatives |
|---|
| Direct Parent | pyran carboxylic acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesalkyl sulfatescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidcarboxylic acid derivativeorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneacetamidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
