| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:18 UTC |
|---|
| Update Date | 2025-03-21 17:56:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004561 |
|---|
| Frequency | 1228.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H23NO3 |
|---|
| Molecular Mass | 241.1678 |
|---|
| SMILES | CCCCCCCCC=CC(=O)C(N)C(=O)O |
|---|
| InChI Key | VNIRYYUYEZXFFP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | long-chain fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compoundsacryloyl compoundsalpha amino acidsamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenonesfatty acylshydrocarbon derivativesketo fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsb'-hydroxy-alpha,beta-unsaturated ketones |
|---|
| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidketo fatty acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha-amino acid or derivativesalpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenoneamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
|---|
