3-methyl-3-sulfanylbutan-1-ol (CHEBI:156142)

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ChEBI Name	3-methyl-3-sulfanylbutan-1-ol

ChEBI ID	CHEBI:156142

Definition	An alkanethiol that is butane substituted at position 1 by a hydroxy group and at position 3 by methyl and sulfanyl groups. A volatile organic compound found in coffee, passion fruit juice, beer and domestic cat urine.

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/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3

InChIKey

GBCGIJAYTBMFHI-UHFFFAOYSA-N

SMILES

CC(C)(S)CCO

Metabolite of Species	Details
Coffea arabica (NCBI:txid13443)	See: PubMed
Poncirus trifoliata (NCBI:txid37690)	See: PubMed
Lynx rufus (NCBI:txid61384)	Found in urine (BTO:0001419). See: PubMed
Passiflora edulis (NCBI:txid78168)	See: PubMed
Felis catus (NCBI:txid9685)	Found in urine (BTO:0001419). See: PubMed
Panthera pardus (NCBI:txid9691)	Found in urine (BTO:0001419). See: DOI

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. mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals.

ChEBI Ontology
Outgoing	3-methyl-3-sulfanylbutan-1-ol (CHEBI:156142) has role mammalian metabolite (CHEBI:75768) 3-methyl-3-sulfanylbutan-1-ol (CHEBI:156142) has role plant metabolite (CHEBI:76924) 3-methyl-3-sulfanylbutan-1-ol (CHEBI:156142) is a alkanethiol (CHEBI:47908) 3-methyl-3-sulfanylbutan-1-ol (CHEBI:156142) is a primary alcohol (CHEBI:15734) 3-methyl-3-sulfanylbutan-1-ol (CHEBI:156142) is a volatile organic compound (CHEBI:134179)

IUPAC Name

3-methyl-3-sulfanylbutan-1-ol

Last Modified

06 August 2020