| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 04:28:59 UTC |
|---|
| Update Date | 2025-03-21 23:18:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00695766 |
|---|
| Frequency | 2.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H9NO3 |
|---|
| Molecular Mass | 131.0582 |
|---|
| SMILES | NCC=C(CO)C(=O)O |
|---|
| InChI Key | WKBUUQVJNJMSLU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alcohols and polyolsbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativesunsaturated fatty acids |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidcarboxylic acid derivativebranched fatty acidunsaturated fatty acidbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativehydroxy fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
