| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:43 UTC |
|---|
| Update Date | 2025-03-21 18:03:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00042644 |
|---|
| Frequency | 80.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13NO5 |
|---|
| Molecular Mass | 215.0794 |
|---|
| SMILES | CC(=O)NC1C=C(C(=O)O)CC(O)C1O |
|---|
| InChI Key | RCALOBCDIVUNLZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acid derivatives |
|---|
| Direct Parent | acetamides |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound1,2-diol |
|---|
