| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:33:51 UTC |
|---|
| Update Date | 2025-03-21 17:56:24 UTC |
|---|
| HMDB ID | HMDB0031320 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00001114 |
|---|
| Name | 1,3-Butanediol |
|---|
| Frequency | 5196.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H10O2 |
|---|
| Molecular Mass | 90.0681 |
|---|
| SMILES | CC(O)CCO |
|---|
| InChI Key | PUPZLCDOIYMWBV-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 derivatives |
|---|
| Substituents | aliphatic acyclic compoundsecondary alcoholhydrocarbon derivative |
|---|
