| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:51 UTC |
|---|
| Update Date | 2025-03-21 18:28:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00073789 |
|---|
| Frequency | 40.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14N2O3S |
|---|
| Molecular Mass | 254.0725 |
|---|
| SMILES | Nc1ccccc1C(=O)CSCC(N)C(=O)O |
|---|
| InChI Key | CNVPNGAWTKDREM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativescarboxylic acidscysteine and derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsvinylogous amides |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidesulfenyl compounddialkylthioetheraromatic homomonocyclic compoundmonocarboxylic acid or derivativesthioethercysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
|---|
