EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C7H12O2 |
| Net Charge | 0 |
| Average Mass | 128.171 |
| Monoisotopic Mass | 128.08373 |
| SMILES | CC(=O)CCCC(C)=O |
| InChI | InChI=1S/C7H12O2/c1-6(8)4-3-5-7(2)9/h3-5H2,1-2H3 |
| InChIKey | VAIFYHGFLAPCON-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (9464484) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,3-Diacetylpropane (CHEBI:89283) is a ketone (CHEBI:17087) |
| Synonym | Source |
|---|---|
| heptane-2,6-dione | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0029165 | HMDB |
| Citations |
|---|