| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:30 UTC |
|---|
| Update Date | 2025-03-25 00:59:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02236718 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H20N2O5S4 |
|---|
| Molecular Mass | 400.0255 |
|---|
| SMILES | CS(=O)CCCCNC(=S)SCC(=S)NC(CC(=O)O)C(=O)O |
|---|
| InChI Key | BUSJXINHZFFTBU-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 | aspartic acid and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdithiocarbamic acid estersfatty acids and conjugateshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundssulfinyl compoundssulfoxidesthioamidesthiocarbonyl compoundsthiocarboxylic acid amides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidthiocarbonyl groupfatty acidorganosulfur compoundorganic oxidethioamidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundthiocarboxylic acid amidedithiocarbamic acid esterorganic oxygen compoundaspartic acid or derivativessulfoxidedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
