| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:45:07 UTC |
|---|
| Update Date | 2025-03-21 18:00:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00026924 |
|---|
| Frequency | 141.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12NO3S+ |
|---|
| Molecular Mass | 202.0532 |
|---|
| SMILES | Cc1c(CCO)sc[n+]1CC(=O)O |
|---|
| InChI Key | HITBUAFNZSEPOX-UHFFFAOYSA-O |
|---|
| 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 and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 4,5-disubstituted thiazolesalcohols and polyolsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha-amino acid or derivatives4,5-disubstituted 1,3-thiazoleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationthiazoleorganoheterocyclic compoundorganooxygen compoundazole |
|---|
