| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:18 UTC |
|---|
| Update Date | 2025-03-21 18:36:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00108660 |
|---|
| Frequency | 24.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H17N3O5S |
|---|
| Molecular Mass | 279.0889 |
|---|
| SMILES | NC(CCC(NC(=O)C(N)CS)C(=O)O)C(=O)O |
|---|
| InChI Key | MFLOZDYLNFGQGO-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 acyclic compounds |
|---|
| Alternative Parents | alkylthiolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
|---|
