glucolepidiin (CHEBI:5408)

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ChEBI Name	glucolepidiin

ChEBI ID	CHEBI:5408

Definition	An alkylglucosinolic acid that consists of 1-thio-β-D-glucopyranose attached to an -N-(sulfooxy)propanimidoyl group at the anomeric sulfur. It occurs in Lepidium sativum (garden cress) and Armoracia lapathifolia (horseraddish). A flavour component; the hydrolysis product, ethyl isothiocyanate, is very pungent and garlic-like.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C9H17NO9S2

Net Charge

Average Mass

346.357

Monoisotopic Mass

347.03447

InChI

InChI=1S/C9H17NO9S2/c1-2-5(10-19-21(15,16)17)20-9-8(14)7(13)6(12)4(3-11)18-9/h4,6-9,11-14H,2-3H2,1H3,(H,15,16,17)/b10-5-/t4-,6-,7+,8-,9+/m1/s1

InChIKey

ZPFWVYNZDHOONR-XLKLPJSCSA-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)/CC

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 )

ChEBI Ontology
Outgoing	glucolepidiin (CHEBI:5408) is a alkylglucosinolic acid (CHEBI:79327)

IUPAC Name

1-S-[(1Z)-N-(sulfooxy)propanimidoyl]-1-thio-β-D-glucopyranose

Last Modified

17 May 2016