| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:15 UTC |
|---|
| Update Date | 2025-03-21 17:56:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004438 |
|---|
| Frequency | 1265.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H18 |
|---|
| Molecular Mass | 114.1409 |
|---|
| SMILES | CCC(C)CC(C)C |
|---|
| InChI Key | HDGQICNBXPAKLR-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 |
|---|
