EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H18 |
| Net Charge | 0 |
| Average Mass | 126.243 |
| Monoisotopic Mass | 126.14085 |
| SMILES | CC(C)C1CCCCC1 |
| InChI | InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3 |
| InChIKey | GWESVXSMPKAFAS-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Isopropylcyclohexane (CHEBI:187116) is a cycloalkane (CHEBI:23453) |
| IUPAC Name |
|---|
| propan-2-ylcyclohexane |
| Manual Xrefs | Databases |
|---|---|
| HMDB0038191 | HMDB |
| LMFA11000629 | LIPID MAPS |
| 12239 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:696-29-7 | ChemIDplus |