| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:34:23 UTC |
|---|
| Update Date | 2025-03-21 17:56:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002345 |
|---|
| Frequency | 2629.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H15NO6 |
|---|
| Molecular Mass | 233.0899 |
|---|
| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)CC1O |
|---|
| InChI Key | XDOSHBUVHJVVQW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | quinic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidecyclohexanolhydroxy acidcarboxamide groupsecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundquinic acid |
|---|
