| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:24 UTC |
|---|
| Update Date | 2025-03-25 01:01:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02252576 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H15NO5 |
|---|
| Molecular Mass | 229.095 |
|---|
| SMILES | NC(CCC1(O)CC(O)C=CC1=O)C(=O)O |
|---|
| InChI Key | BEIGSCQUEPFFEO-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 homomonocyclic compounds |
|---|
| Alternative Parents | acyloinscarbocyclic fatty acidscarboxylic acidscyclohexenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativestertiary alcohols |
|---|
| Substituents | fatty acylcyclohexenonecarbocyclic fatty acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidcyclic ketoneketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
