| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:18 UTC |
|---|
| Update Date | 2025-03-25 00:51:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02188297 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H17NO9S |
|---|
| Molecular Mass | 315.0624 |
|---|
| SMILES | CC(NC1C(O)CC(COS(=O)(=O)O)OC1O)C(=O)O |
|---|
| InChI Key | UTRWMWNJQLZBQV-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 | alanine and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl sulfatesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidamino acidorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundalcoholsecondary aliphatic amineorganic sulfuric acid or derivativessecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholalanine or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compoundamine |
|---|
