| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:50 UTC |
|---|
| Update Date | 2025-03-25 00:46:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157626 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13NO6S2 |
|---|
| Molecular Mass | 295.0184 |
|---|
| SMILES | O=C(O)CCC1C2SCC(C(=O)O)N2CS1(=O)=O |
|---|
| InChI Key | WUFSVFYVRYXVBA-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 | alpha amino acids |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfonesthiazolidinesthiohemiaminal derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycledialkylthioetheraliphatic heteropolycyclic compoundorganic oxideorganic oxygen compoundthioetherorganonitrogen compoundalpha-amino acidhemithioaminaldicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundsulfonethiazolidine |
|---|
