| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:06:14 UTC |
|---|
| Update Date | 2025-03-25 00:56:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02215733 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H12O4 |
|---|
| Molecular Mass | 148.0736 |
|---|
| SMILES | CCCC(COO)C(=O)O |
|---|
| InChI Key | JHVVXUJLNWYMIZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | short-chain hydroxy acids and derivatives |
|---|
| Direct Parent | short-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkyl hydroperoxidescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesperoxols |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidfatty acidhydroperoxidecarboxylic acid derivativebranched fatty acidperoxolorganic oxidemonocarboxylic acid or derivativesalkyl hydroperoxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
|---|
