| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:50 UTC |
|---|
| Update Date | 2025-03-25 00:51:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02187269 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H20N4O4S2 |
|---|
| Molecular Mass | 360.0926 |
|---|
| SMILES | CC(=O)Nc1nc(CSCCNC(=O)CCC(N)C(=O)O)cs1 |
|---|
| InChI Key | KYDFYZPHHCDNEJ-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 | glutamine and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2,4-disubstituted thiazolesacetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acetylarylaminesn-acyl aminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidglutamine or derivativesn-acetylarylaminearomatic heteromonocyclic compoundfatty amiden-arylamideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamideazolesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundcarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compound |
|---|
