pentan-2-ol (CHEBI:77518)

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ChEBI Name	pentan-2-ol

ChEBI ID	CHEBI:77518

Definition	A secondary alcohol that is pentane substituted by a hydroxy group at position 2.

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

Submitter	Jen Hammock

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Formula

C5H12O

Net Charge

Average Mass

88.150

Monoisotopic Mass

88.08882

InChI

InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3

InChIKey

JYVLIDXNZAXMDK-UHFFFAOYSA-N

SMILES

CC(CCC)O

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

Roles Classification
Chemical Role(s):	polar solvent A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds.

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

Application(s):	polar solvent A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds. fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

ChEBI Ontology
Outgoing	pentan-2-ol (CHEBI:77518) has role fragrance (CHEBI:48318) pentan-2-ol (CHEBI:77518) has role plant metabolite (CHEBI:76924) pentan-2-ol (CHEBI:77518) has role polar solvent (CHEBI:48354) pentan-2-ol (CHEBI:77518) is a pentanol (CHEBI:143597) pentan-2-ol (CHEBI:77518) is a secondary alcohol (CHEBI:35681)

Incoming	(S)-1'-methylbutyl caffeate (CHEBI:70482) has functional parent pentan-2-ol (CHEBI:77518)

IUPAC Name

pentan-2-ol

Last Modified

25 October 2023