| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:13 UTC |
|---|
| Update Date | 2025-03-25 00:53:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02199459 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H7NO5 |
|---|
| Molecular Mass | 173.0324 |
|---|
| SMILES | NC(=O)CCC(=O)C(=O)C(=O)O |
|---|
| InChI Key | UPALNWLELXOMDA-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 acyclic compounds |
|---|
| Alternative Parents | alpha-diketonesalpha-hydroxy ketonesalpha-keto acids and derivativesamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidefatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundcarboxamide groupamino fatty acidalpha-diketonemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
|---|
