| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:28 UTC |
|---|
| Update Date | 2025-03-25 00:45:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02152207 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H14N4O3S |
|---|
| Molecular Mass | 258.0787 |
|---|
| SMILES | NC(CSCc1c[nH]cn1)C(=O)NCC(=O)O |
|---|
| InChI Key | NKGDNPOUIBUPBJ-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 | acyl glycines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdipeptidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundalpha peptideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesulfenyl compoundalpha-amino acid amideazacycledialkylthioetherheteroaromatic compoundcarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
