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CHEBI:89891 - 3-hexanone
| Formula | C6H12O |
| Net Charge | 0 |
| Average Mass | 100.161 |
| Monoisotopic Mass | 100.08882 |
| SMILES | CCCC(=O)CC |
| InChI | InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3 |
| InChIKey | PFCHFHIRKBAQGU-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| faeces (UBERON:0001988) | PubMed (21970810) | ||
| urine (BTO:0001419) | PubMed (24023812) | ||
| Nodulisporium sp. (ncbitaxon:1897413) | - | PubMed (23314364) | |
| Cytinus visseri (IPNI:60445997-2) | - | PubMed (21208953) | |
| Pseudomonas putida (ncbitaxon:303) | - | PubMed (26476310) | |
| Burkholderia ambifaria (ncbitaxon:152480) | - | PubMed (23832658) |
| Roles Classification |
|---|
| Biological Roles: | bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. insect attractant A chemical that attracts insects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-hexanone (CHEBI:89891) has parent hydride hexane (CHEBI:29021) |
| 3-hexanone (CHEBI:89891) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| 3-hexanone (CHEBI:89891) has role human urinary metabolite (CHEBI:84087) |
| 3-hexanone (CHEBI:89891) has role human xenobiotic metabolite (CHEBI:76967) |
| 3-hexanone (CHEBI:89891) has role insect attractant (CHEBI:24850) |
| 3-hexanone (CHEBI:89891) has role plant metabolite (CHEBI:76924) |
| 3-hexanone (CHEBI:89891) is a dialkyl ketone (CHEBI:18044) |
| IUPAC Name |
|---|
| hexan-3-one |
| Synonyms | Source |
|---|---|
| 3-Oxohexane | HMDB |
| Ethyl propyl ketone | HMDB |
| Ethyl n-propyl ketone | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| hexan-3-one | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0000753 | HMDB |
| CPD-13223 | MetaCyc |
| 3-Hexanone | Wikipedia |
| Citations |
|---|