| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:56 UTC |
|---|
| Update Date | 2025-03-21 18:00:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00026530 |
|---|
| Frequency | 144.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H12O2 |
|---|
| Molecular Mass | 104.0837 |
|---|
| SMILES | CCC(O)(O)CC |
|---|
| InChI Key | LMSZCVVFFIXEKO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | carbonyl hydrates |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganooxygen compounds |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl hydratehydrocarbon derivative |
|---|
