| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:37:38 UTC |
|---|
| Update Date | 2025-03-21 17:57:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00009950 |
|---|
| Frequency | 478.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O4 |
|---|
| Molecular Mass | 160.0736 |
|---|
| SMILES | CC(C(=O)O)C(C)(C)C(=O)O |
|---|
| InChI Key | KJDGGLOKWHMBOX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | methyl-branched fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidcarboxylic acid derivativeorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
