3-mercaptohexanol (CHEBI:77690)

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ChEBI Name	3-mercaptohexanol

ChEBI ID	CHEBI:77690

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

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

Supplier Information

Download	Molfile XML SDF

Formula

C6H14OS

Net Charge

Average Mass

134.24000

Monoisotopic Mass

134.07654

InChI

InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3

InChIKey

TYZFMFVWHZKYSE-UHFFFAOYSA-N

SMILES

CCCC(S)CCO

Roles Classification
Biological Role(s):	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. Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

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

ChEBI Ontology
Outgoing	3-mercaptohexanol (CHEBI:77690) has parent hydride hexane (CHEBI:29021) 3-mercaptohexanol (CHEBI:77690) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 3-mercaptohexanol (CHEBI:77690) has role flavouring agent (CHEBI:35617) 3-mercaptohexanol (CHEBI:77690) has role plant metabolite (CHEBI:76924) 3-mercaptohexanol (CHEBI:77690) is a alkanethiol (CHEBI:47908) 3-mercaptohexanol (CHEBI:77690) is a primary alcohol (CHEBI:15734)

Incoming	3-mercaptohexyl acetate (CHEBI:77818) has functional parent 3-mercaptohexanol (CHEBI:77690)

IUPAC Name

3-sulfanylhexan-1-ol

Last Modified

14 July 2020