| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 07:56:42 UTC |
|---|
| Update Date | 2025-03-24 22:25:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01194524 |
|---|
| Frequency | 1.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12 |
|---|
| Molecular Mass | 96.0939 |
|---|
| SMILES | C#CCCC(C)C |
|---|
| InChI Key | HKNANEMUCJGPMS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | hydrocarbons |
|---|
| Class | unsaturated hydrocarbons |
|---|
| Subclass | acetylenes |
|---|
| Direct Parent | terminal alkynes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acetylidesunsaturated aliphatic hydrocarbons |
|---|
| Substituents | aliphatic acyclic compoundacetylideunsaturated aliphatic hydrocarbonmonosubstituted alkyne |
|---|
