| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:44:04 UTC |
|---|
| Update Date | 2025-03-25 00:47:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02164880 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O4 |
|---|
| Molecular Mass | 158.0579 |
|---|
| SMILES | CC(O)CCC(=O)C(O)=C=O |
|---|
| InChI Key | TYRDUEXUMVVCNP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty alcohols |
|---|
| Direct Parent | fatty alcohols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsalpha-hydroxy ketonesenoneshydrocarbon derivativesorganic oxidessecondary alcoholsynolates |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupalpha-hydroxy ketoneketoneorganic oxideorganic oxygen compoundynolatefatty alcoholsecondary alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
|---|
