| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:31 UTC |
|---|
| Update Date | 2025-03-21 18:00:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00030171 |
|---|
| Frequency | 123.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H11NO3S |
|---|
| Molecular Mass | 213.046 |
|---|
| SMILES | CC(=O)NC(Cc1cccs1)C(=O)O |
|---|
| InChI Key | FSFVGPGABHYRPJ-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 heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiophenes |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundn-acyl-alpha-amino acidheteroaromatic compoundthiophenecarboxamide groupsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundacetamideorganooxygen compound |
|---|
