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CHEBI:5408 - glucolepidiin

ChEBI IDCHEBI:5408
ChEBI Nameglucolepidiin
Stars
DefinitionAn 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.
Last Modified17 May 2016
DownloadsMolfile
FormulaC9H17NO9S2
Net Charge0
Average Mass347.367
Monoisotopic Mass347.03447
SMILESCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyZPFWVYNZDHOONR-XLKLPJSCSA-N
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)
glucolepidiin (CHEBI:5408) is a alkylglucosinolic acid (CHEBI:79327)
IUPAC Name 
1-S-[(1Z)-N-(sulfooxy)propanimidoyl]-1-thio-β-D-glucopyranose
Synonyms  Source
GlucolepidiinKEGG COMPOUND
Ethyl glucosinolateKEGG COMPOUND
Manual XrefsDatabases
C08413KEGG COMPOUND
C00001474KNApSAcK
Registry NumbersSources
Reaxys:1438162Reaxys
CAS:101144-39-2KEGG COMPOUND