| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:30 UTC |
|---|
| Update Date | 2025-03-21 18:38:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00121182 |
|---|
| Frequency | 21.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H9NO4S |
|---|
| Molecular Mass | 179.0252 |
|---|
| SMILES | NC(C(=O)O)C(=O)C(O)CS |
|---|
| InChI Key | FRZLUFFGWDRAGA-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 acyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compoundsacyloinsalkylthiolsalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary alcoholsshort-chain keto acids and derivatives |
|---|
| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharideshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonebeta-keto acidketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholmonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundalkylthiolorganooxygen compound |
|---|
