4-mercapto-4-methylpentan-2-one (CHEBI:77856)

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ChEBI Name	4-mercapto-4-methylpentan-2-one

ChEBI ID	CHEBI:77856

Definition	An alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group.

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

Supplier Information

Download	Molfile XML SDF

Formula

C6H12OS

Net Charge

Average Mass

132.22400

Monoisotopic Mass

132.06089

InChI

InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

InChIKey

QRNZMFDCKKEPSX-UHFFFAOYSA-N

SMILES

CC(=O)CC(C)(C)S

Roles Classification
Biological Role(s):	Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	4-mercapto-4-methylpentan-2-one (CHEBI:77856) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 4-mercapto-4-methylpentan-2-one (CHEBI:77856) has role plant metabolite (CHEBI:76924) 4-mercapto-4-methylpentan-2-one (CHEBI:77856) is a alkanethiol (CHEBI:47908) 4-mercapto-4-methylpentan-2-one (CHEBI:77856) is a methyl ketone (CHEBI:51867)

IUPAC Name

4-methyl-4-sulfanylpentan-2-one

Last Modified

21 March 2014