| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:48 UTC |
|---|
| Update Date | 2025-03-21 17:59:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00023823 |
|---|
| Frequency | 230.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO3S |
|---|
| Molecular Mass | 253.0773 |
|---|
| SMILES | CSCCC(NC(=O)c1ccccc1)C(=O)O |
|---|
| InChI Key | PPFRJEXUPZWQPI-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 | methionine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylorganosulfur compoundbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundn-acyl-alpha-amino aciddialkylthioetherhippuric acid or derivativesbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
