| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:02 UTC |
|---|
| Update Date | 2025-03-21 18:30:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00083864 |
|---|
| Frequency | 34.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H12O4 |
|---|
| Molecular Mass | 148.0736 |
|---|
| SMILES | COC(=O)C(O)C(C)(C)O |
|---|
| InChI Key | GHWRZRNYIIZFRP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acid esters |
|---|
| Direct Parent | fatty acid esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,2-diolscarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcoholstertiary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupmonosaccharidecarboxylic acid derivativefatty acid estertertiary alcoholsaccharideorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound1,2-diol |
|---|
