| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:47 UTC |
|---|
| Update Date | 2025-03-21 18:38:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00121860 |
|---|
| Frequency | 21.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H15NO5 |
|---|
| Molecular Mass | 217.095 |
|---|
| SMILES | CC(O)CCC=C(NCC(=O)O)C(=O)O |
|---|
| InChI Key | NOVJVOMMBRKQGW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | amino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholsunsaturated fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidmedium-chain hydroxy acidunsaturated fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholsecondary aliphatic aminesecondary amineamino fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
