| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:31:19 UTC |
|---|
| Update Date | 2025-03-21 18:41:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00137080 |
|---|
| Frequency | 18.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H20N2O9S |
|---|
| Molecular Mass | 392.089 |
|---|
| SMILES | O=C1NC2CSC(CCC(=O)OC3OC(C(=O)O)C(O)C(O)C3O)C2N1 |
|---|
| InChI Key | ARZZJRKNMKNEJT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | o-glucuronides |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acid estersglucuronic acid derivativeshydrocarbon derivativesimidazolidinonesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholsthienoimidazolidinesthiolanesthiophenes |
|---|
| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acido-glucuronidemonosaccharidethiophenecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundimidazolidinonebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholcarbonic acid derivativepyran carboxylic acid or derivativesazacycledialkylthioetherhydroxy acidthienoimidazolidineoxacyclefatty acid esterthioetherpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
|---|
