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CHEBI:136425 - ω-(methylsulfanyl)alkyl desulfoglucosinolate

ChEBI IDCHEBI:136425
ChEBI Nameω-(methylsulfanyl)alkyl desulfoglucosinolate
Stars
ASCII Nameomega-(methylsulfanyl)alkyl desulfoglucosinolate
DefinitionA desulfoglucosinolic acid resulting from the formal condensation of the thiol group of any ω-[(methylsulfanyl)alkyl]thiohydroximic acid with β-D-glucopyranose.
Last Modified15 August 2022
SubmitterKristian Axelsen
DownloadsMolfile
Formula(CH2)n.C10H19NO6S2
Net Charge0
Average Mass327.424
Monoisotopic Mass327.08103
SMILESCSCCCC(=NO)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/t6-,8-,9+,10-,11+/m1/s1
InChIKeyOYTRJEKRRFSKHF-ZHVGPZTNSA-N
ChEBI Ontology
Outgoing Relation(s)
ω-(methylsulfanyl)alkyl desulfoglucosinolate (CHEBI:136425) is a desulfoglucosinolic acid (CHEBI:136442)
Incoming Relation(s)
(Z)-ω-(methylsulfanyl)alkyl desulfoglucosinolate (CHEBI:192830) is a ω-(methylsulfanyl)alkyl desulfoglucosinolate (CHEBI:136425)
5-(methylthio)pentyldesulfoglucosinolate (CHEBI:136950) is a ω-(methylsulfanyl)alkyl desulfoglucosinolate (CHEBI:136425)
6-(methylthio)hexyldesulfoglucosinolate (CHEBI:136952) is a ω-(methylsulfanyl)alkyl desulfoglucosinolate (CHEBI:136425)
7-(methylthio)heptyldesulfoglucosinolate (CHEBI:136946) is a ω-(methylsulfanyl)alkyl desulfoglucosinolate (CHEBI:136425)
IUPAC Name 
α-(methylsulfanyl)-ω-[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
an aliphatic desulfo-glucosinolateUniProt
Manual XrefsDatabases
DesulfoaliphaticglucosinolatesMetaCyc