| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:29 UTC |
|---|
| Update Date | 2025-03-21 18:34:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00099224 |
|---|
| Frequency | 27.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H36N2O23S2 |
|---|
| Molecular Mass | 760.115 |
|---|
| SMILES | CC(=O)NC1C(OC2C(O)C(COS(=O)(=O)O)OC(OC3C(O)C(O)OC(COS(=O)(=O)O)C3O)C2NC(C)=O)OC(C(=O)O)C(O)C1O |
|---|
| InChI Key | QVSRUBFEQQHPOG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | n-acyl-alpha-hexosamines |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsacetamidesalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidn-acyl-alpha-hexosaminebeta-hydroxy acidorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
|---|
