| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:21 UTC |
|---|
| Update Date | 2025-03-25 00:45:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02151966 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8N2O6S |
|---|
| Molecular Mass | 248.0103 |
|---|
| SMILES | NC(C(=O)O)c1ccc(OS(=O)(=O)O)nc1 |
|---|
| InChI Key | TVARWTUFSNLOJT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesarylsulfatesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfate2-halopyridineorganoheterocyclic compoundorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
