| Record Information |
|---|
| HMDB Status | quantified |
|---|
| Creation Date | 2024-02-20 23:38:00 UTC |
|---|
| Update Date | 2025-03-21 17:57:53 UTC |
|---|
| HMDB ID | HMDB0000341 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00010841 |
|---|
| Name | 2-Octenedioic acid |
|---|
| Frequency | 431.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O4 |
|---|
| Molecular Mass | 172.0736 |
|---|
| SMILES | O=C(O)C=CCCCCC(=O)O |
|---|
| InChI Key | BNTPVRGYUHJFHN-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesunsaturated fatty acids |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativeunsaturated fatty acidorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
|---|
