EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H14O |
| Net Charge | 0 |
| Average Mass | 114.188 |
| Monoisotopic Mass | 114.10447 |
| SMILES | CCCC(C)CC=O |
| InChI | InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3 |
| InChIKey | ZSJUABCTGCNBPF-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | faeces (UBERON:0001988) | PubMed (17314143) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Methylhexanal (CHEBI:88822) is a saturated fatty aldehyde (CHEBI:133249) |
| Synonyms | Source |
|---|---|
| 3-Methyl-Hexanal | HMDB |
| 3-methylhexanal | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0032405 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:19269-28-4 | KEGG COMPOUND |
| Citations |
|---|