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CHEBI:187253 - 3-Methylpentyl glucosinolate

ChEBI IDCHEBI:187253
ChEBI Name3-Methylpentyl glucosinolate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H25NO9S2
Net Charge0
Average Mass403.475
Monoisotopic Mass403.09707
SMILESCCC(C)CC/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C13H25NO9S2/c1-3-7(2)4-5-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(6-15)22-13/h7-8,10-13,15-18H,3-6H2,1-2H3,(H,19,20,21)/b14-9+
InChIKeyISQHSPNQOCVWOY-NTEUORMPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
3-Methylpentyl glucosinolate (CHEBI:187253) is a alkylglucosinolate (CHEBI:36445)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-methyl-N-sulooxyhexanimidothioate
Manual XrefsDatabases
35014122ChemSpider
HMDB0036355HMDB