| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:34 UTC |
|---|
| Update Date | 2025-03-25 01:01:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02248407 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9NO6 |
|---|
| Molecular Mass | 203.043 |
|---|
| SMILES | N#CC1(O)CC(O)C(O)C(C(=O)O)O1 |
|---|
| InChI Key | KDUPYPQENBGKGM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyran carboxylic acids and derivatives |
|---|
| Direct Parent | pyran carboxylic acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalpha-hydroxynitrilesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyanohydrinshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | carbonyl groupnitrilecarboxylic acidmonosaccharidecyanohydrincarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxanecarbonitrile1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydroxynitrilesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
