CHEBI:4488 - diallyl disulfide

ChEBI IDCHEBI:4488
ChEBI Namediallyl disulfide
Stars
DefinitionAn organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium.
Last Modified28 July 2014
DownloadsMolfile
FormulaC6H10S2
Net Charge0
Average Mass146.280
Monoisotopic Mass146.02239
SMILESC=CCSSCC=C
InChIInChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
InChIKeyPFRGXCVKLLPLIP-UHFFFAOYSA-N
Wikipedia
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.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
diallyl disulfide (CHEBI:4488) has role antifungal agent (CHEBI:35718)
diallyl disulfide (CHEBI:4488) has role antineoplastic agent (CHEBI:35610)
diallyl disulfide (CHEBI:4488) has role plant metabolite (CHEBI:76924)
diallyl disulfide (CHEBI:4488) is a organic disulfide (CHEBI:35489)
IUPAC Name 
3-(prop-2-en-1-yldisulfanyl)prop-1-ene
Synonyms  Source
Diallyl disulfideKEGG COMPOUND
3,3'-dithiobis(prop-1-ene)ChEBI
allyl disulfideNIST Chemistry WebBook
4,5-dithia-1,7-octadieneNIST Chemistry WebBook
2-propenyl disulphideNIST Chemistry WebBook
3,3'-disulfanediylbis(prop-1-ene)IUPAC
Manual XrefsDatabases
C08369KEGG COMPOUND
Diallyl_disulfideWikipedia
HMDB0033966HMDB
C00001243KNApSAcK
Registry NumbersSources
Gmelin:217847Gmelin
Reaxys:1699241Reaxys
CAS:2179-57-9KEGG COMPOUND
CAS:2179-57-9ChemIDplus
CAS:2179-57-9NIST Chemistry WebBook
Citations