| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:37 UTC |
|---|
| Update Date | 2025-03-21 18:36:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00109414 |
|---|
| Frequency | 24.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12N2O3S |
|---|
| Molecular Mass | 228.0569 |
|---|
| SMILES | CC(=O)NC(Cc1scnc1C)C(=O)O |
|---|
| InChI Key | KXXZOJWRUZOLGU-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 | 4,5-disubstituted thiazolesacetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamideazoleazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide group4,5-disubstituted 1,3-thiazolesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundthiazoleorganooxygen compound |
|---|
