3-mercaptopentanol (CHEBI:156144)

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ChEBI Name	3-mercaptopentanol

ChEBI ID	CHEBI:156144

Definition	An alkanethiol that is pentane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively.

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

Submitter	Anne Morgat

Supplier Information

Download	Molfile XML SDF

Formula

C5H12OS

Net Charge

Average Mass

120.210

Monoisotopic Mass

120.06089

InChI

InChI=1S/C5H12OS/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3

InChIKey

PRJACVDGNSZBLE-UHFFFAOYSA-N

SMILES

C(C(S)CCO)C

Metabolite of Species	Details
Vitis vinifera (NCBI:txid29760)	See: PubMed
Humulus lupulus (NCBI:txid3486)	See: PubMed
Homo sapiens (NCBI:txid9606)	Found in human axilla secretions. See: PubMed

Roles Classification
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. flavouring agent A food additive that is used to added improve the taste or odour of a food. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

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

ChEBI Ontology
Outgoing	3-mercaptopentanol (CHEBI:156144) has parent hydride pentane (CHEBI:37830) 3-mercaptopentanol (CHEBI:156144) has role flavouring agent (CHEBI:35617) 3-mercaptopentanol (CHEBI:156144) has role human metabolite (CHEBI:77746) 3-mercaptopentanol (CHEBI:156144) has role plant metabolite (CHEBI:76924) 3-mercaptopentanol (CHEBI:156144) is a alkanethiol (CHEBI:47908) 3-mercaptopentanol (CHEBI:156144) is a primary alcohol (CHEBI:15734)

IUPAC Name

3-sulfanylpentan-1-ol

Registry Number	Type	Source
548740-99-4	CAS Registry Number	ChemIDplus

Last Modified

17 July 2020