| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:07 UTC |
|---|
| Update Date | 2025-03-25 00:49:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02171876 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H16N4O4S |
|---|
| Molecular Mass | 276.0892 |
|---|
| SMILES | CNC(=N)SCC(NC(C)=O)C(=O)NCC(=O)O |
|---|
| InChI Key | YJNUTKFMTKCKBP-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 | aliphatic acyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidscysteine and derivativesdipeptideshydrocarbon derivativesiminesisothioureasmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidimineorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideisothioureasulfenyl compoundalpha-amino acid amidecarboximidamidecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
