| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-21 03:09:46 UTC |
|---|
| Update Date | 2025-03-21 22:11:10 UTC |
|---|
| HMDB ID | HMDB0245278 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00508538 |
|---|
| Name | 2-Octynoic acid |
|---|
| Frequency | 3.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O2 |
|---|
| Molecular Mass | 140.0837 |
|---|
| SMILES | CCCCCC#CC(=O)O |
|---|
| InChI Key | BQDKCWCMDBMLEH-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 acidsunsaturated fatty acids |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidcarboxylic acid derivativeunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
|---|
