| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:39 UTC |
|---|
| Update Date | 2025-03-21 18:35:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00107048 |
|---|
| Frequency | 25.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O8 |
|---|
| Molecular Mass | 248.0532 |
|---|
| SMILES | O=C(O)CCC(O)(CC(=O)CC(=O)O)C(=O)O |
|---|
| InChI Key | GPRHYDZGQBASBV-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 | alpha hydroxy acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidbeta-keto acidgamma-keto acidketonetertiary alcoholorganic oxideorganic oxygen compoundketo acidhydrocarbon derivativeorganooxygen compound |
|---|
