| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:35 UTC |
|---|
| Update Date | 2025-03-21 18:06:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00061213 |
|---|
| Frequency | 50.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H14O4 |
|---|
| Molecular Mass | 186.0892 |
|---|
| SMILES | CCCCC=CC(O)C(=O)C(=O)O |
|---|
| InChI Key | KYEGVRNWLDGULK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | medium-chain keto acids and derivatives |
|---|
| Direct Parent | medium-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acyloinsalpha-hydroxy ketonesalpha-keto acids and derivativesbeta hydroxy acids and derivativescarboxylic acidsfatty alcoholshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidefatty alcoholalpha-keto acidhydroxy fatty acidalcoholhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
|---|
