| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:27 UTC |
|---|
| Update Date | 2025-03-21 18:39:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00125707 |
|---|
| Frequency | 20.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H13NO4S |
|---|
| Molecular Mass | 207.0565 |
|---|
| SMILES | NC(CCSCC(O)C=O)C(=O)O |
|---|
| InChI Key | DCHQDQYZHYYFEL-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 | alpha-hydroxyaldehydescarboxylic acidsdialkylthioethershydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidmonosaccharidefatty acidorganosulfur compoundsaccharideorganic oxidealpha-hydroxyaldehydeorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioetheraldehydemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
