| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:18:07 UTC |
|---|
| Update Date | 2025-03-25 01:00:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02242680 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H17N3O5S |
|---|
| Molecular Mass | 303.0889 |
|---|
| SMILES | CC(=O)N1CSCC1C(=O)NC(CCC(N)=O)C(=O)O |
|---|
| InChI Key | XQLIKYZXJUOZEI-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 | acetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty amidesglutamine and derivativesheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidestertiary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
|---|
| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidglutamine or derivativesheterocyclic fatty acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxidetertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino aciddialkylthioethercarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
|---|
