| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:35 UTC |
|---|
| Update Date | 2025-03-21 18:06:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00063524 |
|---|
| Frequency | 48.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H14N2O3S |
|---|
| Molecular Mass | 230.0725 |
|---|
| SMILES | O=C(O)C1CSCN1C(=O)C1CCCN1 |
|---|
| InChI Key | DOUZIFYZXOSLIY-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 | dipeptides |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidinecarboxamidestertiary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesorganic oxidetertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid amideazacycledialkylthioethersecondary aminecarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundaminethiazolidine |
|---|
