CAS 3952-98-5: Sinigrin monohydrate
Description:Sinigrin monohydrate, with the CAS number 3952-98-5, is a naturally occurring glucosinolate primarily found in cruciferous vegetables such as mustard seeds, Brussels sprouts, and cabbage. It is a colorless to pale yellow crystalline solid that is soluble in water and exhibits a slightly bitter taste. Sinigrin is known for its role in plant defense mechanisms and contributes to the characteristic flavor and aroma of mustard and related plants. Upon hydrolysis, sinigrin can yield glucose, sulforaphane, and other bioactive compounds, which have been studied for their potential health benefits, including antioxidant and anticancer properties. The substance is stable under normal conditions but can decompose when exposed to high temperatures or extreme pH levels. Sinigrin monohydrate is also of interest in food science and nutrition, as it may influence the nutritional profile of foods derived from its source plants. Its applications extend to the fields of agriculture, food preservation, and potential therapeutic uses in health and medicine.
Formula:C10H16KNO9S2
InChI:InChI=1S/C10H17NO9S2.K/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
InChI key:InChIKey=CRISREJYBIDTLU-XNTWFIRCSA-N
SMILES:[K].O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC=C
- Synonyms:
- 1-S-[(1E)-N-(sulfonatooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose
- 2-Propenyl glucosinolate
- Allyl glucosinolate potassium
- Glucopyranose, 1-thio-, 1-(3-butenoate), oxime, O-sulfate, potassium salt, β-<span class="text-smallcaps">D</span>-
- Glucopyranose, 1-thio-, 1-(3-butenohydroximate) NO-(hydrogen sulfate), monopotassium salt, β-<span class="text-smallcaps">D</span>-
- NSC 407279
- NSC 90774
- Sinigrin
- Sinigrin monohydrate from horseradish
- Sinigrine
- See more synonyms
- Tritium
- potassium 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate
- potassium 1-S-[(1Z)-N-(sulfonatooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose
- β-<span class="text-smallcaps">D</span>-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-3-butenimidate], monopotassium salt
- β-<span class="text-smallcaps">D</span>-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-3-butenimidate], potassium salt (1:1)
