| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:37 UTC |
|---|
| Update Date | 2025-03-21 18:36:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00109433 |
|---|
| Frequency | 24.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8O2 |
|---|
| Molecular Mass | 100.0524 |
|---|
| SMILES | CCC(O)C=C=O |
|---|
| InChI Key | KMCZAXQYJFAANM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | secondary alcohols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesketenesorganic oxidesynolates |
|---|
| Substituents | aliphatic acyclic compoundorganic oxideynolatesecondary alcoholhydrocarbon derivativeketene |
|---|
