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CHEBI:5406 - glucoiberin

ChEBI IDCHEBI:5406
ChEBI Nameglucoiberin
Stars
Last Modified3 August 2014
DownloadsMolfile
FormulaC11H20NO10S3
Net Charge-1
Average Mass422.479
Monoisotopic Mass422.02548
SMILESCS(=O)CCCC(=NOS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)/p-1/t6-,8-,9+,10-,11+,24?/m1/s1
InChIKeyPHYYADMVYQURSX-GEINXPCQSA-M
ChEBI Ontology
Outgoing Relation(s)
glucoiberin (CHEBI:5406) has functional parent propylglucosinolate (CHEBI:36446)
glucoiberin (CHEBI:5406) is a sulfoxide (CHEBI:22063)
IUPAC Name 
1-S-[4-(methylsulfinyl)-N-(sulfonatooxy)butanimidoyl]-1-thio-β-D-glucopyranose
Synonyms  Source
GlucoiberinKEGG COMPOUND
beta-D-Glucopyranose, 1-thio-, 1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate)KEGG COMPOUND
3-methylsulfinylpropylglucosinolateChEBI
3-Methylsulfinylpropyl glucosinolateKEGG COMPOUND
Manual XrefsDatabases
C08411KEGG COMPOUND
C00007343KNApSAcK
Registry NumbersSources
Beilstein:6753605Beilstein
CAS:554-88-1KEGG COMPOUND