| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:23 UTC |
|---|
| Update Date | 2025-03-21 18:33:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00096525 |
|---|
| Frequency | 28.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O5 |
|---|
| Molecular Mass | 158.0215 |
|---|
| SMILES | CC(=O)C(=O)CC(=O)C(=O)O |
|---|
| InChI Key | WCGXIDXRKQHHHG-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 | 3-acylpyruvic acidsalpha-diketonesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl group3-acylpyruvic acidcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativealpha-diketonegamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
|---|
