| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:39:22 UTC |
|---|
| Update Date | 2025-03-21 17:58:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00013996 |
|---|
| Frequency | 316.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H20 |
|---|
| Molecular Mass | 128.1565 |
|---|
| SMILES | CCCCC(C)C(C)C |
|---|
| InChI Key | WBRFDUJXCLCKPX-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 |
|---|
