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E-Ajoene

PropertiesImage
MNX_IDMNXM115289 Image of MNXM115289
referencehmdb:HMDB0304671
formulaC9H14OS3
global charge0
mol weight234.411
InChIKeyIXELFRRANAOWSF-IYNGYCSASA-N
InChIInChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+/t13-/m0/s1
SMILESC=CCSS/C=C/C[S@@](=O)CC=C
MNX internals
InChI (mnx)InChI=1/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+/t13-/m0/s1 Image of MNXM115289
SMILES (mnx)[CH2:1]=[CH:3][CH2:6][S:11][S:12]/[CH:7]=[CH:5]/[CH2:9][S@:13]([CH2:8][CH:4]=[CH2:2])=[O:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0304671
IXELFRRANAOWSF-IYNGYCSASA-N 		E-Ajoene
3-{[(1E)-3-[(S)-prop-2-ene-1-sulfinyl]prop-1-en-1-yl]disulfanyl}prop-1-ene
3-{[(1E)-3-[(S)-prop-2-ene-1-sulphinyl]prop-1-en-1-yl]disulphanyl}prop-1-ene

seed.compound:cpd16555
seedM:cpd16555
CHEBI:80708
chebi:80708
kegg.compound:C16758
keggC:C16758
IXELFRRANAOWSF-FNORWQNLSA-N 		(E)-Ajoene

keggC:M_C16758
seedM:M_cpd16555 		secondary/obsolete/fantasy identifier