| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:01 UTC |
|---|
| Update Date | 2025-03-25 00:47:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162478 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9NO4S |
|---|
| Molecular Mass | 203.0252 |
|---|
| SMILES | O=C(O)C=C1CC(C(=O)O)NCS1 |
|---|
| InChI Key | FKUVVCFFHFPGRF-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 heteromonocyclic compounds |
|---|
| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsthiazinanesthioenol ethersthiohemiaminal derivativesvinylogous thioesters |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundvinylogous thioestersecondary aliphatic amineazacyclesecondary aminethioenoletherorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound1,3-thiazinaneorganooxygen compoundamine |
|---|
