| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:18 UTC |
|---|
| Update Date | 2025-03-25 00:57:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02222872 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H24N2O22S4 |
|---|
| Molecular Mass | 675.9704 |
|---|
| SMILES | O=S(=O)(O)NC1C(O)OC(COS(=O)(=O)O)C(OC2C(O)C(O)C(NOS(=O)(=O)O)C(O)C2OS(=O)(=O)O)C1O |
|---|
| InChI Key | AAHAKJLRQRKPKI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | cyclohexanols |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl sulfatescyclitols and derivativesdialkyl ethershemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessulfuric acid monoamidessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoesterethermonosaccharidedialkyl ethersaccharideorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundorganic sulfuric acid or derivativescyclohexanolcyclitol or derivativescyclic alcoholoxacyclesulfuric acid monoamidesulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
|---|
