| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:00 UTC |
|---|
| Update Date | 2025-03-25 00:58:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02228778 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H21NO7S |
|---|
| Molecular Mass | 335.1039 |
|---|
| SMILES | CC(=O)NC(CSC1CC(O)C=CC1(O)C(O)CO)C(=O)O |
|---|
| InChI Key | LUVXTQZLABBHNC-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstertiary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholacetamidealcoholsulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
