| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:58:41 UTC |
|---|
| Update Date | 2025-03-25 00:53:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02198203 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H20O6 |
|---|
| Molecular Mass | 248.126 |
|---|
| SMILES | CCCCCC(O)OC(=O)CC(O)CC(=O)O |
|---|
| InChI Key | NMEROHIAWDXRIS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershemiacetalshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivatives |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidcarboxylic acid derivativefatty acid esterbeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshemiacetalhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
|---|
