| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:04 UTC |
|---|
| Update Date | 2025-03-25 00:50:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180983 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13NO4S |
|---|
| Molecular Mass | 231.0565 |
|---|
| SMILES | O=C(O)CCC1SCN2C(C(=O)O)CC12 |
|---|
| InChI Key | OCVYEKCCWGUCES-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 compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthia fatty acidsthiazolidinesthiohemiaminal derivatives |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidazetidinecarboxylic acidaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherazetidinethia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
|---|
