| 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 | DMID02229052 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H19NO12S |
|---|
| Molecular Mass | 413.0628 |
|---|
| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)CC1OC(=O)CCC(=O)OS(=O)(=O)O |
|---|
| InChI Key | BRMCMGFCUNYMSY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | quinic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsfatty acid estershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesterstertiary alcoholstricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylsulfuric acid monoestercarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideorganic sulfuric acid or derivativescyclohexanolhydroxy acidcarboxamide groupsecondary carboxylic acid amidefatty acid estertertiary alcoholcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterquinic acid |
|---|
