| Record Information |
|---|
| HMDB Status | quantified |
|---|
| Creation Date | 2024-02-20 23:34:31 UTC |
|---|
| Update Date | 2025-03-21 17:56:38 UTC |
|---|
| HMDB ID | HMDB0000689 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002660 |
|---|
| Name | Isocaproic acid |
|---|
| Frequency | 2264.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H12O2 |
|---|
| Molecular Mass | 116.0837 |
|---|
| SMILES | CC(C)CCC(=O)O |
|---|
| InChI Key | FGKJLKRYENPLQH-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
|---|
