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CHEBI:45758 - dipropyl disulfide

ChEBI IDCHEBI:45758
ChEBI Namedipropyl disulfide
Stars
DefinitionAn organic disulfide where the alkyl groups specified are propyl. It is a component of the essential oils obtained from Allium.
Secondary ChEBI IDsCHEBI:4651, CHEBI:45756
Last Modified23 October 2015
DownloadsMolfile
FormulaC6H14S2
Net Charge0
Average Mass150.312
Monoisotopic Mass150.05369
SMILESCCCSSCCC
InChIInChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
InChIKeyALVPFGSHPUPROW-UHFFFAOYSA-N
Roles Classification
Biological Role:
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 Relation(s)
dipropyl disulfide (CHEBI:45758) has role plant metabolite (CHEBI:76924)
dipropyl disulfide (CHEBI:45758) is a organic disulfide (CHEBI:35489)
IUPAC Name 
1-(propyldisulfanyl)propane
Synonyms  Source
Dipropyl disulfideKEGG COMPOUND
n-Propyl disulfideKEGG COMPOUND
1,1'-dithiodipropaneChEBI
propyl disulfideNIST Chemistry WebBook
4,5-dithiaoctaneNIST Chemistry WebBook
dipropyl disulphideNIST Chemistry WebBook
Manual XrefsDatabases
C08373KEGG COMPOUND
SSPPDBeChem
HMDB0031472HMDB
C00001247KNApSAcK
Registry NumbersSources
Gmelin:142203Gmelin
Beilstein:969200Beilstein
Reaxys:969200Reaxys
CAS:629-19-6KEGG COMPOUND
CAS:629-19-6ChemIDplus
CAS:629-19-6NIST Chemistry WebBook
Citations