2-methyl-3-sulfanylbutan-1-ol (CHEBI:156147)

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ChEBI Name	2-methyl-3-sulfanylbutan-1-ol

ChEBI ID	CHEBI:156147

Definition	An alkanethiol that is butan-1-ol substituted at positions 2 and 3 by methyl 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/c1-4(3-6)5(2)7/h4-7H,3H2,1-2H3

InChIKey

RFMHFOPFUZZBAD-UHFFFAOYSA-N

SMILES

CC(S)C(C)CO

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

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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	2-methyl-3-sulfanylbutan-1-ol (CHEBI:156147) has role human metabolite (CHEBI:77746) 2-methyl-3-sulfanylbutan-1-ol (CHEBI:156147) has role plant metabolite (CHEBI:76924) 2-methyl-3-sulfanylbutan-1-ol (CHEBI:156147) is a alkanethiol (CHEBI:47908) 2-methyl-3-sulfanylbutan-1-ol (CHEBI:156147) is a primary alcohol (CHEBI:15734) 2-methyl-3-sulfanylbutan-1-ol (CHEBI:156147) is a volatile organic compound (CHEBI:134179)

IUPAC Name

2-methyl-3-sulfanylbutan-1-ol

Registry Number	Type	Source
227456-33-9	CAS Registry Number	ChemIDplus

Last Modified

06 August 2020