| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 10:07:42 UTC |
|---|
| Update Date | 2025-03-24 20:37:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01508139 |
|---|
| Frequency | 0.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O3 |
|---|
| Molecular Mass | 128.0473 |
|---|
| SMILES | C#CCC(C)(O)C(=O)O |
|---|
| InChI Key | ZPMNVAYSWCEIES-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | hydroxy fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acetylidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesshort-chain hydroxy acids and derivativestertiary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupacetylidecarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativebranched fatty acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
|---|
