| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:21:50 UTC |
|---|
| Update Date | 2025-03-21 18:37:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00114777 |
|---|
| Frequency | 23.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H17NO6S |
|---|
| Molecular Mass | 279.0777 |
|---|
| SMILES | NC(CSC1CC(O)CC(O)(C(=O)O)C1)C(=O)O |
|---|
| InChI Key | NPNYMYLFICOTQC-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 | cysteine and derivatives |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclohexanolsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstertiary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsulfenyl compounddialkylthioethercyclohexanolhydroxy acidcyclic alcoholtertiary alcoholorganic oxygen compoundthioethercysteine or derivativessecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
