EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H16O |
| Net Charge | 0 |
| Average Mass | 140.226 |
| Monoisotopic Mass | 140.12012 |
| SMILES | CC(C)=CCCC(C)C=O |
| InChI | InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3 |
| InChIKey | YGFGZTXGYTUXBA-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Oryctolagus cuniculus (ncbitaxon:9986) | longissimus thoracis (BTO:0001651) | MetaboLights (MTBLS8958) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-Heptenal, 2,6-dimethyl- (CHEBI:229323) is a monounsaturated fatty aldehyde (CHEBI:61870) |
| IUPAC Name |
|---|
| 2,6-dimethylhept-5-enal |
| Manual Xrefs | Databases |
|---|---|
| 54976 | ChemSpider |
| D89853 | KEGG DRUG |
| HMDB0031834 | HMDB |
| LMFA06000127 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:106-72-9 | ChemIDplus |