Sinigrin hydrate

• CAT Number: I044954
• CAS Number: 64550-88-5
• Molecular Formula: C10H18KNO10S2
• Molecular Weight: 415.48
• Purity: ≥95%
• Synonyms: potassium;[(E)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate;hydrate
• IUPAC Name: potassium;[(Z)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate;hydrate
• InChI: InChI=1S/C10H17NO9S2.K.H2O/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);;1H2/q;+1;/p-1/b11-6-;;/t5-,7-,8+,9-,10+;;/m1../s1
• InChIKey: IUBVMJHASFBYGW-YEIBXKIESA-M
• SMILES: C=CC/C(=N/OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.O.[K+]

Sinigrin hydrate（Cat No.:I044954）is a water-soluble glucosinolate compound predominantly found in cruciferous vegetables like mustard seeds, Brussels sprouts, and broccoli. It serves as a precursor to allyl isothiocyanate, a bioactive compound formed upon enzymatic hydrolysis. Sinigrin hydrate exhibits a range of health-promoting properties, including anticancer, antimicrobial, antioxidant, and anti-inflammatory effects. It has been shown to induce phase II detoxification enzymes, promote apoptosis in cancer cells, and inhibit microbial growth. Its role in chemoprevention and digestive health makes sinigrin hydrate a valuable compound in functional food, nutraceutical, and biomedical research.