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CHEBI:169897 - 1-(1-Propenylthio)propyl propyl disulfide

Default Structure
ChEBI IDCHEBI:169897
ChEBI Name1-(1-Propenylthio)propyl propyl disulfide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18S3
Net Charge0
Average Mass222.444
Monoisotopic Mass222.05706
SMILESC/C=C/SC(CC)SSCCC
InChIInChI=1S/C9H18S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4,7,9H,5-6,8H2,1-3H3/b7-4+
InChIKeyHWAMRUBZEUCVAJ-QPJJXVBHSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
1-(1-Propenylthio)propyl propyl disulfide (CHEBI:169897) is a organic disulfide (CHEBI:35489)
IUPAC Name 
1-[(E)-prop-1-enyl]sulanyl-1-(propyldisulanyl)propane
Manual XrefsDatabases
4509621ChemSpider
HMDB0033041HMDB