| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-21 00:41:27 UTC |
|---|
| Update Date | 2025-03-21 18:48:36 UTC |
|---|
| HMDB ID | HMDB0245045 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00160731 |
|---|
| Name | 2-Butyne-1,4-diol |
|---|
| Frequency | 14.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H6O2 |
|---|
| Molecular Mass | 86.0368 |
|---|
| SMILES | OCC#CCO |
|---|
| InChI Key | DLDJFQGPPSQZKI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | alcohols and polyols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivatives |
|---|
| Substituents | alcoholaliphatic acyclic compoundhydrocarbon derivative |
|---|
