| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:24 UTC |
|---|
| Update Date | 2025-03-21 18:07:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00067908 |
|---|
| Frequency | 44.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8N2O5S |
|---|
| Molecular Mass | 232.0154 |
|---|
| SMILES | CC(=O)Nc1ccc(OS(=O)(=O)O)nc1 |
|---|
| InChI Key | HYEFZWLUUSLIBD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | arylsulfates |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesacetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesn-acetylarylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupn-acetylarylaminearomatic heteromonocyclic compoundpolyhalopyridinen-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganoheterocyclic compoundacetamideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
