2-Propenyl glucosinolate
IUPAC 名称
{[(1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}but-3-en-1-ylidene)amino]oxy}sulfonic acid
描述
2-propenyl glucosinolate, also known as sinigrin, monopotassium salt or myronate, is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 2-propenyl glucosinolate is soluble (in water) and an extremely strong acidic compound (based on its pKa). 2-propenyl glucosinolate can be found in brussel sprouts, which makes 2-propenyl glucosinolate a potential biomarker for the consumption of this food product.
异构
[H][C@]1(CO)O[C@@]([H])(SC(CC=C)=NOS(O)(=O)=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
InChI标识符
InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/t5-,7-,8+,9-,10+/m1/s1
键
PHZOWSSBXJXFOR-HOQQJHGQSA-N