| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:05 UTC |
|---|
| Update Date | 2025-03-25 00:46:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02156019 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H17N3O3S |
|---|
| Molecular Mass | 247.0991 |
|---|
| SMILES | CSCCC(C=O)NC(=O)C(N)CC(N)=O |
|---|
| InChI Key | JLQDUWTWIZKYRC-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 | asparagine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | aldehydesalpha amino acid amidesalpha amino acidscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidessulfenyl compounds |
|---|
| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativessulfenyl compoundalpha-amino acid amidedialkylthioetheraldehydecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
