EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C7H14O |
| Net Charge | 0 |
| Average Mass | 114.188 |
| Monoisotopic Mass | 114.10447 |
| SMILES | CCCC(=O)C(C)C |
| InChI | InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey | HIGGFWFRAWSMBR-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| faeces (UBERON:0001988) | PubMed (23454028) | ||
| saliva (UBERON:0001836) | PubMed (24421258) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-Methyl-3-hexanone (CHEBI:88411) is a ketone (CHEBI:17087) |
| Synonym | Source |
|---|---|
| 2-methylhexan-3-one | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0061896 | HMDB |
| Citations |
|---|