| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:59 UTC |
|---|
| Update Date | 2025-03-25 00:47:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162378 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13NO5 |
|---|
| Molecular Mass | 215.0794 |
|---|
| SMILES | O=C(O)CCC(=O)C(O)C1CCC(O)=N1 |
|---|
| InChI Key | YRZVHCSJQMSIHM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | medium-chain keto acids and derivatives |
|---|
| Direct Parent | medium-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acyloinsalpha-hydroxy ketonesamino fatty acidsazacyclic compoundscarboxylic acidscyclic carboximidic acidsfatty acylsgamma-keto acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinessecondary alcohols |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundketonesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholazacycleorganic 1,3-dipolar compoundamino fatty acidgamma-keto acidmonocarboxylic acid or derivativespyrrolineorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganooxygen compoundmedium-chain keto acid |
|---|
