| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:22:39 UTC |
|---|
| Update Date | 2025-03-21 19:13:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00256814 |
|---|
| Frequency | 8.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8O3 |
|---|
| Molecular Mass | 116.0473 |
|---|
| SMILES | CCC(O)C(=O)C=O |
|---|
| InChI Key | DGAOCHBNQCRVTI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | acyloins |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha ketoaldehydesalpha-hydroxy ketonesbeta-hydroxy aldehydeshydrocarbon derivativesorganic oxidessecondary alcoholsshort-chain aldehydes |
|---|
| Substituents | alcoholaliphatic acyclic compoundbeta-hydroxy aldehydeshort-chain aldehydealdehydealpha-hydroxy ketoneketoneorganic oxideacyloinsecondary alcoholhydrocarbon derivativealpha-ketoaldehyde |
|---|
