CHEBI:5399 - glucocapparin(1−)

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ChEBI Name glucocapparin(1−)
ChEBI ID CHEBI:5399
ChEBI ASCII Name glucocapparin(1-)
Definition An alkylglucosinolate that is the conjugate base of glucocapparin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H14NO9S2
Net Charge -1
Average Mass 332.331
Monoisotopic Mass 332.01155
InChI InChI=1S/C8H15NO9S2/c1-3(9-18-20(14,15)16)19-8-7(13)6(12)5(11)4(2-10)17-8/h4-8,10-13H,2H2,1H3,(H,14,15,16)/p-1/b9-3-/t4-,5-,6+,7-,8+/m1/s1
InChIKey UBTOEGCOMHAXGV-VECAIYLJSA-M
SMILES [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS([O-])(=O)=O)/C
Metabolite of Species Details
Peritoma arborea (NCBI:txid171228) 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 glucocapparin(1−) (CHEBI:5399) is a alkylglucosinolate (CHEBI:36445)
glucocapparin(1−) (CHEBI:5399) is conjugate base of glucocapparin (CHEBI:79328)
Incoming glucocapparin (CHEBI:79328) is conjugate acid of glucocapparin(1−) (CHEBI:5399)
IUPAC Name
1-S-[(1Z)-N-(sulfonatooxy)ethanimidoyl]-1-thio-β-D-glucopyranose
Synonym Source
Glucocapparin KEGG COMPOUND
Manual Xref Database
C08404 KEGG COMPOUND
View more database links
Registry Number Type Source
497-77-8 CAS Registry Number KEGG COMPOUND
Last Modified
11 March 2016