| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 11:52:01 UTC |
|---|
| Update Date | 2025-03-24 21:22:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01758859 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C28H45NO37S4 |
|---|
| Molecular Mass | 1115.0553 |
|---|
| SMILES | CC(=O)NC1C(OC2C(O)C(O)OC(COS(=O)(=O)O)C(O)C2O)OC(COS(=O)(=O)O)C(OC2OC(COS(=O)(=O)O)C(O)C(OC3(C(=O)O)OC(COS(=O)(=O)O)C(O)C(C(=O)O)O3)C2O)C1O |
|---|
| InChI Key | XTADEJJVDQLKJN-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 | 1,3-dioxanesacetalsacetamidesalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanesoxepanessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidortho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativen-acyl-alpha-hexosaminebeta-hydroxy acidorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalorthocarboxylic acid derivativeoxaneorganoheterocyclic compoundacetamidealcoholorganic sulfuric acid or derivativeshydroxy acidcarboxamide groupoxepaneoxacyclesecondary carboxylic acid amidesecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid estermeta-dioxane |
|---|
