| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:18 UTC |
|---|
| Update Date | 2025-03-21 18:00:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00029684 |
|---|
| Frequency | 125.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9NO4S |
|---|
| Molecular Mass | 203.0252 |
|---|
| SMILES | O=C(O)CC1CSCC(C(=O)O)=N1 |
|---|
| InChI Key | OPBIDSSFKMYAHK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | thia fatty acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleiminedialkylthioetherorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidethia fatty acidorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
