| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 00:35:59 UTC |
|---|
| Update Date | 2025-03-21 18:46:33 UTC |
|---|
| HMDB ID | HMDB0036165 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00147943 |
|---|
| Name | 3-(Hydroxymethyl)-2-heptanone |
|---|
| Frequency | 16.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H16O2 |
|---|
| Molecular Mass | 144.115 |
|---|
| SMILES | CCCCC(CO)C(C)=O |
|---|
| InChI Key | MHOXVRWQBOAOAU-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 | beta-hydroxy ketoneshydrocarbon derivativesorganic oxidesprimary alcohols |
|---|
| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupketoneorganic oxideorganic oxygen compoundfatty alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound |
|---|
