| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:29 UTC |
|---|
| Update Date | 2025-03-25 00:45:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02152266 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H11ClN2OS |
|---|
| Molecular Mass | 230.0281 |
|---|
| SMILES | NC(CS)C(=O)Nc1ccc(Cl)cc1 |
|---|
| InChI Key | WMXBQFCHMMBYPQ-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 | alpha amino acid amides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkylthiolsalpha amino acidsanilidesaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzenescysteine and derivativeshydrocarbon derivativesmonoalkylaminesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouporganochloriden-arylamideorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenealpha-amino acid amidecarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenealkylthiolorganooxygen compound |
|---|
