| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:11:43 UTC |
|---|
| Update Date | 2025-03-25 00:58:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02228180 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14N2O6S |
|---|
| Molecular Mass | 302.0573 |
|---|
| SMILES | C=CC1=C(SCC(N)C(=O)O)C(O)(CC(=O)O)NC1=O |
|---|
| InChI Key | IPLOOFZHFJCNLJ-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 | cysteine and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkanolaminesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidslactamsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amidessulfenyl compoundsthia fatty acidsthioenol ethersvinylogous thioesters |
|---|
| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalkanolaminevinylogous thioestersulfenyl compoundazacyclecarboxamide groupsecondary carboxylic acid amidethia fatty acidthioenoletherorganic oxygen compoundpyrrolinecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
