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CHEBI:192830 - (Z)-ω-(methylsulfanyl)alkyl desulfoglucosinolate

ChEBI IDCHEBI:192830
ChEBI Name(Z)-ω-(methylsulfanyl)alkyl desulfoglucosinolate
Stars
ASCII Name(Z)-omega-(methylsulfanyl)alkyl desulfoglucosinolate
DefinitionA ω-(methylsulfanyl)alkyl desulfoglucosinolate in which the double bond adopts a Z-configuration.
Last Modified15 August 2022
SubmitterKristian Axelsen
DownloadsMolfile
Formula(CH2)n.C10H19NO6S2
Net Charge0
Average Mass327.424
Monoisotopic Mass327.08103
SMILESCSCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H21NO6S2/c1-19-4-2-3-7(12-17)20-11-10(16)9(15)8(14)6(5-13)18-11/h6,8-11,13-17H,2-5H2,1H3/b12-7-/t6-,8-,9+,10-,11+/m1/s1
InChIKeyOYTRJEKRRFSKHF-IIPHORNXSA-N
ChEBI Ontology
Outgoing Relation(s)
(Z)-ω-(methylsulfanyl)alkyl desulfoglucosinolate (CHEBI:192830) is a ω-(methylsulfanyl)alkyl desulfoglucosinolate (CHEBI:136425)
IUPAC Name 
α-(methylsulfanyl)-ω-[(3Z)-3-(hydroxyimino)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}propyl]polymethanediyl
UniProt Name  Source
(Z)-ω-(methylsulfanyl)alkyl desulfoglucosinolateUniProt