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CHEBI:178120 - 2-(Methylthio)ethyl glucosinolate

ChEBI IDCHEBI:178120
ChEBI Name2-(Methylthio)ethyl glucosinolate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H19NO9S3
Net Charge0
Average Mass393.461
Monoisotopic Mass393.02219
SMILESCSCC/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H19NO9S3/c1-21-3-2-6(11-20-23(16,17)18)22-10-9(15)8(14)7(13)5(4-12)19-10/h5,7-10,12-15H,2-4H2,1H3,(H,16,17,18)/b11-6+
InChIKeyZQKUEDRZCDZXIY-IZZDOVSWSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
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)
2-(Methylthio)ethyl glucosinolate (CHEBI:178120) is a alkylglucosinolate (CHEBI:36445)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-methylsulanyl-N-sulooxypropanimidothioate
Manual XrefsDatabases
35014567ChemSpider
HMDB0038408HMDB