| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:07 UTC |
|---|
| Update Date | 2025-03-25 00:58:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02229042 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H17NO7S |
|---|
| Molecular Mass | 307.0726 |
|---|
| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)OC1CSC(C)=O |
|---|
| InChI Key | ORABJMGMNAFCRN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyran carboxylic acids and derivatives |
|---|
| Direct Parent | pyran carboxylic acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha hydroxy acids and derivativescarbonyl compoundscarbothioic s-esterscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
|---|
| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxanethiolactoneacetamidealcoholthiocarboxylic acid or derivativespyran carboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterhydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
