| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:54:04 UTC |
|---|
| Update Date | 2025-03-21 18:04:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00048314 |
|---|
| Frequency | 68.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H9NO4S |
|---|
| Molecular Mass | 191.0252 |
|---|
| SMILES | NC(=O)CSCCC(=O)C(=O)O |
|---|
| InChI Key | BREJBAACPWLBMA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | short-chain keto acids and derivatives |
|---|
| Direct Parent | short-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessulfenyl compoundsthia fatty acids |
|---|
| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboxamide groupmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
