| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:32 UTC |
|---|
| Update Date | 2025-03-21 18:07:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00068217 |
|---|
| Frequency | 44.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H11NO4S |
|---|
| Molecular Mass | 241.0409 |
|---|
| SMILES | NC(CSc1ccccc1C(=O)O)C(=O)O |
|---|
| InChI Key | URBJJTUSMYOBEG-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 | cysteine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkylarylthioethersalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylamineso-sulfanylbenzoic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthiophenol ethersthiophenolsvinylogous thioesters |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidethiophenolo-sulfanylbenzoic acidthiophenol etherorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous thioestersulfenyl compoundbenzoic acid or derivativeso-sulfanylbenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
