| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:35:11 UTC |
|---|
| Update Date | 2025-03-21 17:56:53 UTC |
|---|
| HMDB ID | HMDB0000847 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004266 |
|---|
| Name | Pelargonic acid |
|---|
| Frequency | 1319.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H18O2 |
|---|
| Molecular Mass | 158.1307 |
|---|
| SMILES | CCCCCCCCC(=O)O |
|---|
| InChI Key | FBUKVWPVBMHYJY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | medium-chain fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesstraight chain fatty acids |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
|---|
