| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:37:54 UTC |
|---|
| Update Date | 2025-03-21 17:57:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00010606 |
|---|
| Frequency | 442.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H28 |
|---|
| Molecular Mass | 184.2191 |
|---|
| SMILES | CCC(C)CCCCC(C)(C)CC |
|---|
| InChI Key | IWDBBRKPCLWIKU-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 |
|---|
