allyl methyl disulfide (CHEBI:6854)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	allyl methyl disulfide

ChEBI ID	CHEBI:6854

Definition	An organic disulfide having allyl and methyl as the two organic groups.

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

Supplier Information

Download	Molfile XML SDF

Formula

C4H8S2

Net Charge

Average Mass

120.23832

Monoisotopic Mass

120.00674

InChI

InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3

InChIKey

XNZOTQPMYMCTBZ-UHFFFAOYSA-N

SMILES

CSSCC=C

Metabolite of Species	Details
Allium sativum (NCBI:txid4682)	See: PubMed

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. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil.

ChEBI Ontology
Outgoing	allyl methyl disulfide (CHEBI:6854) has role plant metabolite (CHEBI:76924) allyl methyl disulfide (CHEBI:6854) has role volatile oil component (CHEBI:27311) allyl methyl disulfide (CHEBI:6854) is a organic disulfide (CHEBI:35489)

IUPAC Name

3-(methyldisulfanyl)prop-1-ene

Last Modified

23 October 2015