| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:48 UTC |
|---|
| Update Date | 2025-03-25 00:55:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02214772 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H16O3 |
|---|
| Molecular Mass | 184.1099 |
|---|
| SMILES | CC=CC(=O)C(CCCC)C(=O)O |
|---|
| InChI Key | LCVFDBLLIUKGNH-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 | 1,3-dicarbonyl compoundsacryloyl compoundsbeta-hydroxy ketonesbeta-keto acids and derivativesbranched fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesb'-hydroxy-alpha,beta-unsaturated ketones |
|---|
| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidbeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-group1,3-dicarbonyl compoundorganooxygen compoundenonemedium-chain keto acid |
|---|
