Products 19041-10-2

CAS 19041-10-2 appears in our catalog under these names: Glucobrassicanapin, ROTICHROM® HPLC, 10 mg, glass, Glucobrassicanapin. Offered by: Roth, MedChemExpress. Available pack sizes: 10mg, Get quote.

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

Glucobrassicanapin is an alkenylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose having a 6-[(sulfooxy)imino]hex-1-en-6-yl group attached to the anomeric sulfur. It is a conjugate acid of a glucobrassicanapin(1-).

Source: ChEBI

Identity
Molecular formulaC12H21NO9S2
Molecular weight387.4 g/mol
IUPAC name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxyhex-5-enimidothioate
InChIKeyXMJFVIGTHMOGNZ-AHMUMSBHSA-N
SMILESC=CCCC/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)