| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:00 UTC |
|---|
| Update Date | 2025-03-25 01:01:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02251716 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9NO6S |
|---|
| Molecular Mass | 235.0151 |
|---|
| SMILES | O=C=C(NCC(=O)O)SCC(O)C(=O)O |
|---|
| InChI Key | AFJVEDRZANFSPC-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 acyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcoholssulfenyl compoundsynolates |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidalpha-hydroxy acidmonosaccharideorganosulfur compoundsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic aminesulfenyl compoundhydroxy acidsecondary amineorganic oxygen compoundynolatesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
