Products 499-37-6

CAS 499-37-6 appears in our catalog under these names: Glucoalyssin, Glucoalyssin kaliumsalz, Glucoalyssin (Standard). Offered by: Chemat Brand, Biosynth, MedChemExpress. Available pack sizes: on request, 2mg, 1mg, 5mg, Get quote.

Structural formula: {0} (CAS {1})

Glucoalyssin is a thia-glucosinolic acid that is glucoberteroin in which the sulfur atom of the methyl thioether group has been oxidised to the corresponding sulfoxide. It is functionally related to a glucoberteroin and a pentylglucosinolic acid.

Source: ChEBI

Identity
Molecular formulaC13H25NO10S3
Molecular weight451.5 g/mol
IUPAC name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-6-methylsulfinyl-N-sulfooxyhexanimidothioate
InChIKeyHUCGRJSHMZWRQQ-PWGYDFSISA-N
SMILESCS(=O)CCCCC/C(=N/OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

Computed by PubChem (NCBI)