octan-3-ol (CHEBI:80945)

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ChEBI Name	octan-3-ol

ChEBI ID	CHEBI:80945

Definition	A secondary alcohol that is octane substituted by a hydroxy group at position 3.

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

Supplier Information

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Formula

C8H18O

Net Charge

Average Mass

130.231

Monoisotopic Mass

130.13577

InChI

InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3

InChIKey

NMRPBPVERJPACX-UHFFFAOYSA-N

SMILES

CCC(CCCCC)O

Metabolite of Species	Details
Starmerella bacillaris (NCBI:txid1247836)	See: MetaboLights Study
Vitis vinifera (NCBI:txid29760)	See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. 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.

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

ChEBI Ontology
Outgoing	octan-3-ol (CHEBI:80945) has role flavouring agent (CHEBI:35617) octan-3-ol (CHEBI:80945) has role human metabolite (CHEBI:77746) octan-3-ol (CHEBI:80945) has role pheromone (CHEBI:26013) octan-3-ol (CHEBI:80945) has role plant metabolite (CHEBI:76924) octan-3-ol (CHEBI:80945) is a octanol (CHEBI:37868) octan-3-ol (CHEBI:80945) is a secondary alcohol (CHEBI:35681)

IUPAC Name

octan-3-ol

Last Modified

25 October 2023