| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:09 UTC |
|---|
| Update Date | 2025-03-21 18:37:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00115574 |
|---|
| Frequency | 30.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H19NO5 |
|---|
| Molecular Mass | 257.1263 |
|---|
| SMILES | CCCCCC=CC(=O)C(O)C(O)=NCC(=O)O |
|---|
| InChI Key | NFVQQYGFAVDNIE-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 | acryloyl compoundsacyloinsalpha-hydroxy ketonesbeta-hydroxy ketonescarboximidic acidscarboxylic acidsenoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
|---|
| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonemonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonepropargyl-type 1,3-dipolar organic compoundketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonealcoholorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compound |
|---|
