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CHEBI:79363 - glucoconringiin

ChEBI IDCHEBI:79363
ChEBI Nameglucoconringiin
Stars
DefinitionA hydroxy-alkylglucosinolic acid that consists of 1-thio-β-D-glucopyranose attached to a 3-hydroxy-3-methyl-N-(sulfooxy)butanimidoyl group at the anomeric sulfur.
Last Modified11 November 2014
Submitternamrata
DownloadsMolfile
FormulaC11H21NO10S2
Net Charge0
Average Mass391.420
Monoisotopic Mass391.06069
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)/t5-,7-,8+,9-,10+/m1/s1
InChIKeyDYAQCRHEYVANDL-HOQQJHGQSA-N
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 (CHEBI:79363) has functional parent isobutylglucosinolic acid (CHEBI:79338)
glucoconringiin (CHEBI:79363) is a hydroxy-alkylglucosinolic acid (CHEBI:79361)
glucoconringiin (CHEBI:79363) is conjugate acid of glucoconringiin(1−) (CHEBI:5403)
Incoming Relation(s)
glucoconringiin(1−) (CHEBI:5403) is conjugate base of glucoconringiin (CHEBI:79363)
IUPAC Name 
1-S-[3-hydroxy-3-methyl-N-(sulfooxy)butanimidoyl]-1-thio-β-D-glucopyranose
Synonym  Source
2-Hydroxy-2-methylpropyl glucosinolateKEGG COMPOUND
Manual XrefsDatabases
C08408KEGG COMPOUND
C00001469KNApSAcK
HMDB0038418HMDB
Registry NumbersSources
Reaxys:54879Reaxys
CAS:28463-28-7KEGG COMPOUND
Citations