| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:38:50 UTC |
|---|
| Update Date | 2025-03-21 17:58:11 UTC |
|---|
| HMDB ID | HMDB0041603 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00012795 |
|---|
| Name | Methyl 3-hydroxybutyrate |
|---|
| Frequency | 353.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H10O3 |
|---|
| Molecular Mass | 118.063 |
|---|
| SMILES | COC(=O)CC(C)O |
|---|
| InChI Key | LDLDJEAVRNAEBW-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 | carbonyl compoundsfatty acid methyl estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativefatty acid esterbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
