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CHEBI:87393 - hexan-1-ol
| Formula | C6H14O |
| Net Charge | 0 |
| Average Mass | 102.177 |
| Monoisotopic Mass | 102.10447 |
| SMILES | CCCCCCO |
| InChI | InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
| InChIKey | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Evolvulus alsinoides (ncbitaxon:439689) | - | PubMed (24634069) | |
| Homo sapiens (ncbitaxon:9606) | |||
| faeces (UBERON:0001988) | PubMed (20055983) | ||
| saliva (UBERON:0001836) | Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)) | ||
| Starmerella bacillaris (ncbitaxon:1247836) | - | MetaboLights (MTBLS212) | |
| Vitis vinifera (ncbitaxon:29760) | - | MetaboLights (MTBLS212) |
| Roles Classification |
|---|
| Biological Roles: | alarm pheromone A pheromone which is released by an organism when damaged by a predator which warns other individuals that there is a danger. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. |
| Application: | fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hexan-1-ol (CHEBI:87393) has role alarm pheromone (CHEBI:72575) |
| hexan-1-ol (CHEBI:87393) has role antibacterial agent (CHEBI:33282) |
| hexan-1-ol (CHEBI:87393) has role fragrance (CHEBI:48318) |
| hexan-1-ol (CHEBI:87393) has role plant metabolite (CHEBI:76924) |
| hexan-1-ol (CHEBI:87393) is a hexanol (CHEBI:143552) |
| hexan-1-ol (CHEBI:87393) is a primary alcohol (CHEBI:15734) |
| Incoming Relation(s) |
| 2-ethylhexyl acetate (CHEBI:87392) has functional parent hexan-1-ol (CHEBI:87393) |
| 3-methyl-3-sulfanylhexan-1-ol (CHEBI:146780) has functional parent hexan-1-ol (CHEBI:87393) |
| hexyl 2-methylbutanoate (CHEBI:156491) has functional parent hexan-1-ol (CHEBI:87393) |
| hexyl acetate (CHEBI:87510) has functional parent hexan-1-ol (CHEBI:87393) |
| hexyl butyrate (CHEBI:87559) has functional parent hexan-1-ol (CHEBI:87393) |
| hexyl heptanoate (CHEBI:172781) has functional parent hexan-1-ol (CHEBI:87393) |
| hexyl hexanoate (CHEBI:156492) has functional parent hexan-1-ol (CHEBI:87393) |
| hexyl octanoate (CHEBI:87490) has functional parent hexan-1-ol (CHEBI:87393) |
| hexyl propanoate (CHEBI:87549) has functional parent hexan-1-ol (CHEBI:87393) |
| monohexyl phthalate (CHEBI:132604) has functional parent hexan-1-ol (CHEBI:87393) |
| IUPAC Name |
|---|
| hexan-1-ol |
| Synonyms | Source |
|---|---|
| n-hexyl alcohol | ChemIDplus |
| 1-hydroxyhexane | ChemIDplus |
| Caproic alcohol | ChemIDplus |
| 1-hexyl alcohol | ChemIDplus |
| hexanol | ChEBI |
| hexanol-(1) | HMDB |
| UniProt Name | Source |
|---|---|
| hexan-1-ol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HE2 | PDBeChem |
| 1-Hexanol | Wikipedia |
| HMDB0012971 | HMDB |
| HEXANOL-CMPD | MetaCyc |
| C00000358 | KNApSAcK |
| FDB008072 | FooDB |
| Citations |
|---|