| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:51 UTC |
|---|
| Update Date | 2025-03-25 00:50:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178210 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H16N2O4S |
|---|
| Molecular Mass | 236.0831 |
|---|
| SMILES | COC(=O)C(NC(=O)C(N)CS)C(C)O |
|---|
| InChI Key | PJWRGCXVIXGXAT-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 | peptides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkylthiolsalpha amino acid amidesalpha amino acid estersalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscysteine and derivativesfatty acid estershydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupalpha-amino acid or derivativesorganosulfur compoundalpha peptidebeta-hydroxy acidorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino acidhydroxy acidcarboxamide groupsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativescarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
|---|
