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CHEBI:6854 - allyl methyl disulfide

ChEBI IDCHEBI:6854
ChEBI Nameallyl methyl disulfide
Stars
DefinitionAn organic disulfide having allyl and methyl as the two organic groups.
Last Modified23 October 2015
DownloadsMolfile
FormulaC4H8S2
Net Charge0
Average Mass120.242
Monoisotopic Mass120.00674
SMILESC=CCSSC
InChIInChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3
InChIKeyXNZOTQPMYMCTBZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Allium sativum (ncbitaxon:4682) - PubMed (23865201)
Roles Classification
Biological Roles:
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 Relation(s)
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
Synonyms  Source
Methyl allyl disulfideKEGG COMPOUND
Allyl methyl disulfideKEGG COMPOUND
3-(methyldithio)prop-1-eneChEBI
4,5-dithia-1-hexeneNIST Chemistry WebBook
3-(methyldisulfanyl)-1-propeneNIST Chemistry WebBook
allyl methyl disulphideNIST Chemistry WebBook
Manual XrefsDatabases
C08383KEGG COMPOUND
HMDB0041389HMDB
C00001257KNApSAcK
Registry NumbersSources
Reaxys:2070522Reaxys
CAS:2179-58-0KEGG COMPOUND
CAS:2179-58-0ChemIDplus
CAS:2179-58-0NIST Chemistry WebBook
Citations