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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 |
|---|---|---|---|
| Burkholderia ambifaria (ncbitaxon:152480) | - | PubMed (23832658) | |
| Cytinus visseri (IPNI:60445997-2) | - | PubMed (21208953) | |
| Homo sapiens (ncbitaxon:9606) | |||
| urine (BTO:0001419) | PubMed (24023812) | ||
| faeces (UBERON:0001988) | PubMed (21970810) | ||
| Nodulisporium sp. (ncbitaxon:1897413) | - | PubMed (23314364) | |
| Pseudomonas putida (ncbitaxon:303) | - | PubMed (26476310) |
| Roles Classification |
|---|
| Biological Roles: | bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. insect attractant A chemical that attracts insects. 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. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| 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 n-propyl ketone | NIST Chemistry WebBook |
| Ethyl propyl ketone | HMDB |
| UniProt Name | Source |
|---|---|
| hexan-3-one | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 3-Hexanone | Wikipedia |
| CPD-13223 | MetaCyc |
| HMDB0000753 | HMDB |
| Citations |
|---|