| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:51 UTC |
|---|
| Update Date | 2025-03-25 00:51:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02187303 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13NO6 |
|---|
| Molecular Mass | 231.0743 |
|---|
| SMILES | CC(=O)ON=C(CCCCC(=O)O)C(=O)O |
|---|
| InChI Key | LBYMZHSBNJIXMK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | tricarboxylic acids and derivatives |
|---|
| Direct Parent | tricarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acetate saltscarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundsoxime esters |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidacetate salttricarboxylic acid or derivativesoximesterorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic saltcarboxylic acid saltorganooxygen compound |
|---|
