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CHEBI:89484 - 4-heptanone
| Formula | C7H14O |
| Net Charge | 0 |
| Average Mass | 114.188 |
| Monoisotopic Mass | 114.10447 |
| SMILES | CCCC(=O)CCC |
| InChI | InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 |
| InChIKey | HCFAJYNVAYBARA-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| saliva (UBERON:0001836) | PubMed (24421258) | ||
| urine (BTO:0001419) | PubMed (11282094) | ||
| blood (UBERON:0000178) | PubMed (914932) | ||
| faeces (UBERON:0001988) | PubMed (21970810) | ||
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (27060700) |
| Roles Classification |
|---|
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). |
| Application: | biomarker A substance used as an indicator of a biological state. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-heptanone (CHEBI:89484) has parent hydride heptane (CHEBI:43098) |
| 4-heptanone (CHEBI:89484) has role biomarker (CHEBI:59163) |
| 4-heptanone (CHEBI:89484) has role human urinary metabolite (CHEBI:84087) |
| 4-heptanone (CHEBI:89484) has role human xenobiotic metabolite (CHEBI:76967) |
| 4-heptanone (CHEBI:89484) has role rat metabolite (CHEBI:86264) |
| 4-heptanone (CHEBI:89484) is a dialkyl ketone (CHEBI:18044) |
| IUPAC Name |
|---|
| heptan-4-one |
| Synonyms | Source |
|---|---|
| Butyrone | HMDB |
| Propyl ketone | ChemIDplus |
| Dipropyl ketone | HMDB |
| 4-Oxoheptane | HMDB |
| Di-n-propyl ketone | ChemIDplus |
| UniProt Name | Source |
|---|---|
| heptan-4-one | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0004814 | HMDB |
| C00035501 | KNApSAcK |
| 4-Heptanone | Wikipedia |
| Citations |
|---|