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

ChEBI IDCHEBI:77856
ChEBI Name4-mercapto-4-methylpentan-2-one
Stars
DefinitionAn alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group.
Last Modified21 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC6H12OS
Net Charge0
Average Mass132.228
Monoisotopic Mass132.06089
SMILESCC(=O)CC(C)(C)S
InChIInChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKeyQRNZMFDCKKEPSX-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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 Relation(s)
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
Synonyms  Source
4-Methyl-4-mercaptopentan-2-oneChemIDplus
4-Methyl-4-thiolpentan-2-oneHMDB
4-Mercapto-4-methyl-2-PentanoneHMDB
4-Methyl-4-sulfanyl-2-pentanoneNIST Chemistry WebBook
4-Sulfanyl-4-methylpentan-2-oneHMDB
4-Sulphanyl-4-methylpentan-2-oneHMDB
Manual XrefsDatabases
HMDB0031519HMDB
Registry NumbersSources
Reaxys:1699508Reaxys
CAS:19872-52-7ChemIDplus
CAS:19872-52-7NIST Chemistry WebBook
Citations