| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:07:24 UTC |
|---|
| Update Date | 2025-03-21 18:29:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00079960 |
|---|
| Frequency | 36.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12N2O5S |
|---|
| Molecular Mass | 260.0467 |
|---|
| SMILES | CC(N)C(=O)Nc1ccccc1OS(=O)(=O)O |
|---|
| InChI Key | DTVNTDDFTTVTKC-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 acid amides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alanine and derivativesalpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupn-arylamidephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateorganic sulfuric acid or derivativesalpha-amino acid amidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundalanine or derivativessulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
