| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 00:03:43 UTC |
|---|
| Update Date | 2025-03-21 18:28:18 UTC |
|---|
| HMDB ID | HMDB0042011 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00071027 |
|---|
| Name | S-Phenylmercapturic acid |
|---|
| Frequency | 42.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13NO3S |
|---|
| Molecular Mass | 239.0616 |
|---|
| SMILES | CC(=O)NC(CSc1ccccc1)C(=O)O |
|---|
| InChI Key | CICOZWHZVMOPJS-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidesalkylarylthioethersalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthiophenol ethersthiophenols |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidethiophenolthiophenol etherorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
