Products 4356-52-9

CAS 4356-52-9 is the registry number for Glucobrassicin. Offered by: Chemat Brand, MedChemExpress. Available pack sizes: on request, Get quote.

Glucobrassicin
Chemat Brand, MedChemExpress
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  • Variants: 2
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Structural formula: {0} (CAS {1})

Glucobrassicin is an indolylmethylglucosinolic acid that is 1-thio-beta-D-glucopyranose having a 2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl group attached to the anomeric sulfur. It is an indolyl carbohydrate and an indolylmethylglucosinolic acid. It is a conjugate acid of a glucobrassicin(1-).

Source: ChEBI

Identity
Molecular formulaC16H20N2O9S2
Molecular weight448.5 g/mol
IUPAC name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate
InChIKeyDNDNWOWHUWNBCK-JZYAIQKZSA-N
SMILESC1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Glucobrassicin, 3-Indolylmethylglucosinolate, indol-3-ylmethyl glucosinolate, 1-S-[2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose, 1-S-(2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl)-1-thio-beta-D-glucopyranose, indolylmethyl glucosinolate, indol-3-ylmethylglucosinolate, orb2813777, Glucobrassicin (3-Indolmethyl-GS)