| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:37 UTC |
|---|
| Update Date | 2025-03-25 00:46:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157167 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O5 |
|---|
| Molecular Mass | 172.0372 |
|---|
| SMILES | O=CC(=O)CC(=O)CCC(=O)O |
|---|
| InChI Key | YXAIUANABHECSX-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 ketoaldehydescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidaldehydecarboxylic acid derivativegamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativealpha-ketoaldehydeorganooxygen compoundmedium-chain keto acid |
|---|
