CHEBI:5406 - glucoiberin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name glucoiberin
ChEBI ID CHEBI:5406
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H20NO10S3
Net Charge -1
Average Mass 422.47524
Monoisotopic Mass 422.02548
InChI InChI=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
InChIKey PHYYADMVYQURSX-GEINXPCQSA-M
SMILES CS(=O)CCCC(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS([O-])(=O)=O
ChEBI Ontology
Outgoing 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 Sources
3-Methylsulfinylpropyl glucosinolate KEGG COMPOUND
3-methylsulfinylpropylglucosinolate ChEBI
beta-D-Glucopyranose, 1-thio-, 1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate) KEGG COMPOUND
Glucoiberin KEGG COMPOUND
Manual Xrefs Databases
C00007343 KNApSAcK
C08411 KEGG COMPOUND
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Registry Numbers Types Sources
554-88-1 CAS Registry Number KEGG COMPOUND
6753605
Note: (2006-09-01) E stereoisomer
 Beilstein Registry Number Beilstein
Last Modified
04 August 2014