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CHEBI:36446 - propylglucosinolate

ChEBI IDCHEBI:36446
ChEBI Namepropylglucosinolate
Stars
DefinitionAn alkylglucosinolate that is the conjugate base of propylglucosinolic acid.
Last Modified11 March 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H18NO9S2
Net Charge-1
Average Mass360.386
Monoisotopic Mass360.04285
SMILESCCC/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H19NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h5,7-10,12-15H,2-4H2,1H3,(H,16,17,18)/p-1/b11-6-/t5-,7-,8+,9-,10+/m1/s1
InChIKeyWFJBUHOMGSOMHL-GLVDENFASA-M
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)
propylglucosinolate (CHEBI:36446) is a alkylglucosinolate (CHEBI:36445)
propylglucosinolate (CHEBI:36446) is conjugate base of propylglucosinolic acid (CHEBI:79341)
Incoming Relation(s)
glucocheirolin (CHEBI:5400) has functional parent propylglucosinolate (CHEBI:36446)
glucoiberin (CHEBI:5406) has functional parent propylglucosinolate (CHEBI:36446)
glucoiberverin(1−) (CHEBI:5407) has functional parent propylglucosinolate (CHEBI:36446)
propylglucosinolic acid (CHEBI:79341) is conjugate acid of propylglucosinolate (CHEBI:36446)
IUPAC Name 
1-S-[(1Z)-N-(sulfonatooxy)butanimidoyl]-1-thio-β-D-glucopyranose
Registry NumbersSources
Reaxys:8799967Reaxys
Citations