CHEBI:36446 - propylglucosinolate

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ChEBI Name propylglucosinolate
ChEBI ID CHEBI:36446
Definition An alkylglucosinolate that is the conjugate base of propylglucosinolic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H18NO9S2
Net Charge -1
Average Mass 360.384
Monoisotopic Mass 360.04285
InChI InChI=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
InChIKey WFJBUHOMGSOMHL-GLVDENFASA-M
SMILES [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS([O-])(=O)=O)/CCC
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via glucosinolate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing propylglucosinolate (CHEBI:36446) is a alkylglucosinolate (CHEBI:36445)
propylglucosinolate (CHEBI:36446) is conjugate base of propylglucosinolic acid (CHEBI:79341)
Incoming 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 Number Type Source
8799967 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22197453 PubMed citation Europe PMC
Last Modified
11 March 2016