CHEBI:5403 - glucoconringiin(1−)

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ChEBI Name glucoconringiin(1−)
ChEBI ID CHEBI:5403
ChEBI ASCII Name glucoconringiin(1-)
Definition An hydroxy-alkylglucosinolate that is isobutylglucosinolate which has been hydroxylated at the 2-position of the isobutyl chain.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H20NO10S2
Net Charge -1
Average Mass 390.40924
Monoisotopic Mass 390.05341
InChI InChI=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
InChIKey DYAQCRHEYVANDL-HOQQJHGQSA-M
SMILES CC(C)(O)CC(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS([O-])(=O)=O
Metabolite of Species Details
Moringa stenopetala (NCBI:txid161034) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via glucosinolate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
2-hydroxy-2-methylpropylglucosinolate ChEBI
Glucoconringiin KEGG COMPOUND
Manual Xref Database
C08408 KEGG COMPOUND
View more database links
Registry Number Type Source
28463-28-7 CAS Registry Number KEGG COMPOUND
Last Modified
11 November 2014