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CHEBI:5403 - glucoconringiin(1−)

ChEBI IDCHEBI:5403
ChEBI Nameglucoconringiin(1−)
Stars
ASCII Nameglucoconringiin(1-)
DefinitionAn hydroxy-alkylglucosinolate that is isobutylglucosinolate which has been hydroxylated at the 2-position of the isobutyl chain.
Last Modified11 November 2014
DownloadsMolfile
FormulaC11H20NO10S2
Net Charge-1
Average Mass390.412
Monoisotopic Mass390.05341
SMILESCC(C)(O)CC(=NOS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H21NO10S2/c1-11(2,17)3-6(12-22-24(18,19)20)23-10-9(16)8(15)7(14)5(4-13)21-10/h5,7-10,13-17H,3-4H2,1-2H3,(H,18,19,20)/p-1/t5-,7-,8+,9-,10+/m1/s1
InChIKeyDYAQCRHEYVANDL-HOQQJHGQSA-M
Species of MetaboliteComponentSourceComments
Moringa stenopetala (ncbitaxon:161034) - PubMed (12709911)
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)
glucoconringiin(1−) (CHEBI:5403) has functional parent isobutylglucosinolate (CHEBI:36447)
glucoconringiin(1−) (CHEBI:5403) is a hydroxy-alkylglucosinolate (CHEBI:62652)
glucoconringiin(1−) (CHEBI:5403) is conjugate base of glucoconringiin (CHEBI:79363)
Incoming Relation(s)
glucoconringiin (CHEBI:79363) is conjugate acid of glucoconringiin(1−) (CHEBI:5403)
IUPAC Name 
1-S-[3-hydroxy-3-methyl-N-(sulfonatooxy)butanimidoyl]-1-thio-β-D-glucopyranose
Synonyms  Source
GlucoconringiinKEGG COMPOUND
2-hydroxy-2-methylpropylglucosinolateChEBI
Manual XrefsDatabases
C08408KEGG COMPOUND
Registry NumbersSources
CAS:28463-28-7KEGG COMPOUND