| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:15 UTC |
|---|
| Update Date | 2025-03-21 18:00:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00024895 |
|---|
| Frequency | 155.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O6 |
|---|
| Molecular Mass | 204.0634 |
|---|
| SMILES | O=C(O)CCC(=O)CC(O)CC(=O)O |
|---|
| InChI Key | UDECCDVMVFLTQI-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 | beta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidhydroxy acidcarboxylic acid derivativegamma-keto acidketonebeta-hydroxy acidorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compoundmedium-chain keto acid |
|---|
