EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:172003 - 3-Methyl-1-phenyl-3-pentanol
| Formula | C12H18O |
| Net Charge | 0 |
| Average Mass | 178.275 |
| Monoisotopic Mass | 178.13577 |
| SMILES | CCC(C)(O)CCc1ccccc1 |
| InChI | InChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3 |
| InChIKey | AEJRTNBCFUOSEM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Pooled sample (NCIT:C45910) | MetaboLights (MTBLS2128) | ||
| blood plasma (BTO:0000131) | MetaboLights (MTBLS2128) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Methyl-1-phenyl-3-pentanol (CHEBI:172003) is a benzenes (CHEBI:22712) |
| IUPAC Name |
|---|
| 3-methyl-1-phenylpentan-3-ol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0031731 | HMDB |
| 55436 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:10415-87-9 | ChemIDplus |