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CHEBI:172657 - 6-Heptenyl glucosinolate

ChEBI IDCHEBI:172657
ChEBI Name6-Heptenyl glucosinolate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25NO9S2
Net Charge0
Average Mass415.486
Monoisotopic Mass415.09707
SMILESC=CCCCCC/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C14H25NO9S2/c1-2-3-4-5-6-7-10(15-24-26(20,21)22)25-14-13(19)12(18)11(17)9(8-16)23-14/h2,9,11-14,16-19H,1,3-8H2,(H,20,21,22)/b15-10+
InChIKeyYCWIQCABRUTWQD-XNTDXEJSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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)
6-Heptenyl glucosinolate (CHEBI:172657) is a alkylglucosinolate (CHEBI:36445)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulooxyoct-7-enimidothioate
Manual XrefsDatabases
35014581ChemSpider
HMDB0038425HMDB