hexan-3-ol (CHEBI:88653)

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ChEBI Name	hexan-3-ol

ChEBI ID	CHEBI:88653

Definition	A hexanol in which the hydroxy group is at position 3.

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

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Formula

C6H14O

Net Charge

Average Mass

102.177

Monoisotopic Mass

102.10447

InChI

InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3

InChIKey

ZOCHHNOQQHDWHG-UHFFFAOYSA-N

SMILES

CCCC(CC)O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: PubMed

Roles Classification
Biological Role(s):	pheromone A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour. flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	hexan-3-ol (CHEBI:88653) has role flavouring agent (CHEBI:35617) hexan-3-ol (CHEBI:88653) has role pheromone (CHEBI:26013) hexan-3-ol (CHEBI:88653) has role plant metabolite (CHEBI:76924) hexan-3-ol (CHEBI:88653) is a hexanol (CHEBI:143552) hexan-3-ol (CHEBI:88653) is a secondary alcohol (CHEBI:35681)

IUPAC Name

hexan-3-ol

Last Modified

25 October 2023