| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:58:39 UTC |
|---|
| Update Date | 2025-03-25 00:53:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02198126 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14O5 |
|---|
| Molecular Mass | 190.0841 |
|---|
| SMILES | CC(C)C(=O)CC(O)C(O)C(=O)O |
|---|
| InChI Key | CKAWNRVLKMLYGL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | medium-chain hydroxy acids and derivatives |
|---|
| Direct Parent | medium-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativesbeta-hydroxy ketonesbranched fatty acidscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
|---|
| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativemedium-chain hydroxy acidketonebeta-hydroxy acidsaccharideorganic oxidemedium-chain fatty acidhydroxy fatty acid1,2-diolalcoholbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
