| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:16 UTC |
|---|
| Update Date | 2025-03-21 17:59:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00022608 |
|---|
| Frequency | 175.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11NO3S |
|---|
| Molecular Mass | 201.046 |
|---|
| SMILES | CC(=O)C1=NC(C(=O)O)CCSC1 |
|---|
| InChI Key | FZEBTBZSGKWFBQ-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 | azacyclic compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesketiminesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleiminedialkylthioetherorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
