| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:46 UTC |
|---|
| Update Date | 2025-03-21 17:58:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00012622 |
|---|
| Frequency | 358.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO6 |
|---|
| Molecular Mass | 227.043 |
|---|
| SMILES | O=C(O)C=C1C=C(C(=O)O)NC(C(=O)O)C1 |
|---|
| InChI Key | ORDWMVJFTVJLSJ-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 heteromonocyclic compounds |
|---|
| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundstetrahydropyridinestricarboxylic acids and derivatives |
|---|
| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acidazacycleamino acidtetrahydropyridinetricarboxylic acid or derivativessecondary amineorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamine |
|---|
