| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:27:01 UTC |
|---|
| Update Date | 2025-03-21 18:39:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00127075 |
|---|
| Frequency | 20.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H18N2O6 |
|---|
| Molecular Mass | 250.1165 |
|---|
| SMILES | CC(=O)NC1C(O)OC(CO)C(O)C(O)C1N |
|---|
| InChI Key | FTXDQIBLOXSUMB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | oxepanes |
|---|
| Subclass | oxepanes |
|---|
| Direct Parent | oxepanes |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidescarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | alcoholcarbonyl groupcarboxamide groupcarboxylic acid derivativeoxepaneoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhemiacetalhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundprimary alcoholacetamideorganooxygen compound |
|---|
