| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:25 UTC |
|---|
| Update Date | 2025-03-21 18:33:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00096622 |
|---|
| Frequency | 28.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H19NO3 |
|---|
| Molecular Mass | 213.1365 |
|---|
| SMILES | CCCC=CCC(O)=NC(CC)C(=O)O |
|---|
| InChI Key | SPIQRSBUFIGOBW-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 | carbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
|---|
| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
