| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:45:53 UTC |
|---|
| Update Date | 2025-03-21 18:00:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00028724 |
|---|
| Frequency | 130.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H20 |
|---|
| Molecular Mass | 128.1565 |
|---|
| SMILES | CCCC(CC)CCC |
|---|
| InChI Key | XMROPFQWHHUFFS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | hydrocarbons |
|---|
| Class | saturated hydrocarbons |
|---|
| Subclass | alkanes |
|---|
| Direct Parent | branched alkanes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | Not Available |
|---|
| Substituents | aliphatic acyclic compoundbranched alkane |
|---|
