| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:56:26 UTC |
|---|
| Update Date | 2025-03-21 18:04:56 UTC |
|---|
| HMDB ID | HMDB0246037 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00053735 |
|---|
| Name | 3,4-Heptanediol |
|---|
| Frequency | 60.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H16O2 |
|---|
| Molecular Mass | 132.115 |
|---|
| SMILES | CCCC(O)C(O)CC |
|---|
| InChI Key | ZNZZFXONMYVVGZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | 1,2-diols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativessecondary alcohols |
|---|
| Substituents | aliphatic acyclic compoundsecondary alcoholhydrocarbon derivative1,2-diol |
|---|
