| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 05:22:19 UTC |
|---|
| Update Date | 2025-03-24 14:17:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00824301 |
|---|
| Frequency | 1.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O4 |
|---|
| Molecular Mass | 144.0423 |
|---|
| SMILES | CC(=O)C(O)=CCC(=O)O |
|---|
| InChI Key | PWMZTAKBVBBQIR-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 | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesalpha-hydroxy ketonescarboxylic acidsenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | fatty acylalpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativemedium-chain hydroxy acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidacryloyl-grouporganooxygen compoundenone |
|---|
