CHEBI:79340 - pentylglucosinolic acid

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ChEBI Name pentylglucosinolic acid
ChEBI ID CHEBI:79340
Definition An alkylglucosinolic acid that has pentyl as the alkyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H23NO9S2
Net Charge 0
Average Mass 389.445
Monoisotopic Mass 389.08142
InChI InChI=1S/C12H23NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/b13-8-/t7-,9-,10+,11-,12+/m1/s1
InChIKey HWFSIYKVSPYQJX-AHMUMSBHSA-N
SMILES [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS(O)(=O)=O)/CCCCC
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 glucosinolic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pentylglucosinolic acid (CHEBI:79340) is a alkylglucosinolic acid (CHEBI:79327)
pentylglucosinolic acid (CHEBI:79340) is conjugate acid of pentylglucosinolate (CHEBI:36450)
Incoming glucoalyssin (CHEBI:5395) has functional parent pentylglucosinolic acid (CHEBI:79340)
pentylglucosinolate (CHEBI:36450) is conjugate base of pentylglucosinolic acid (CHEBI:79340)
IUPAC Name
1-S-[(1Z)-N-(sulfooxy)hexanimidoyl]-1-thio-β-D-glucopyranose
Registry Number Type Source
23133612 Reaxys Registry Number Reaxys
Last Modified
17 March 2016