| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:10:19 UTC |
|---|
| Update Date | 2025-03-21 18:31:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00086842 |
|---|
| Frequency | 32.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H12O4 |
|---|
| Molecular Mass | 148.0736 |
|---|
| SMILES | COC(=O)C(C)(O)C(C)O |
|---|
| InChI Key | XKXDXWAQHUEJGN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,2-diolscarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativefatty acid esterbeta-hydroxy acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound1,2-diol |
|---|
