| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:40:22 UTC |
|---|
| Update Date | 2025-03-21 17:58:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00016194 |
|---|
| Frequency | 264.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H23N3O5S3 |
|---|
| Molecular Mass | 397.08 |
|---|
| SMILES | CC(=O)NC(CSC(=S)NCCCCS(C)=O)C(=O)NCC(=O)O |
|---|
| InChI Key | IBLSTPRAASDROE-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 | acyl glycines |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdipeptidesdithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfoxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundalpha peptideorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundalpha-amino acid amidecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidedithiocarbamic acid estermonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
