hexan-1-ol (CHEBI:87393)

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ChEBI Name	hexan-1-ol

ChEBI ID	CHEBI:87393

Definition	A primary alcohol that is hexane substituted by a hydroxy group at position 1.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:87439, CHEBI:43057

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Formula

C6H14O

Net Charge

Average Mass

102.177

Monoisotopic Mass

102.10447

InChI

InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

InChIKey

ZSIAUFGUXNUGDI-UHFFFAOYSA-N

SMILES

CCCCCCO

Metabolite of Species	Details
Starmerella bacillaris (NCBI:txid1247836)	See: MetaboLights Study
Vitis vinifera (NCBI:txid29760)	See: MetaboLights Study
Evolvulus alsinoides (NCBI:txid439689)	See: PubMed
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed

Roles Classification
Biological Role(s):	antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. 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.

Application(s):	fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

ChEBI Ontology
Outgoing	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	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

Last Modified

25 October 2023