| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:18 UTC |
|---|
| Update Date | 2025-03-21 18:03:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00044059 |
|---|
| Frequency | 76.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H12O3 |
|---|
| Molecular Mass | 132.0786 |
|---|
| SMILES | CC(=O)OCC(C)CO |
|---|
| InChI Key | IYAIBVKPRAZUDT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acid derivatives |
|---|
| Direct Parent | carboxylic acid esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary alcoholorganooxygen compound |
|---|
