| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:54:57 UTC |
|---|
| Update Date | 2025-03-21 18:53:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00192652 |
|---|
| Frequency | 11.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O3 |
|---|
| Molecular Mass | 128.0473 |
|---|
| SMILES | CCCC(=O)C(=O)C=O |
|---|
| InChI Key | WXTRRXXKCNKUIA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | medium-chain aldehydes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha ketoaldehydesalpha-diketonesbeta ketoaldehydeshydrocarbon derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundbeta-ketoaldehydemedium-chain aldehydealpha-diketoneketoneorganic oxidehydrocarbon derivativealpha-ketoaldehyde |
|---|
