For research use only. Not for therapeutic Use.
Sinigrin (hydrate) is a natural aliphatic glucosinolate present in plants of the Brassicaceae family. Sinigrin (hydrate) exhibits anti-cancer, antibacterial, antifungal, antioxidant and anti-inflammatory activities[1].
| Catalog Number | I044954 |
| CAS Number | 64550-88-5 |
| Synonyms | potassium;[(E)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate;hydrate |
| Molecular Formula | C10H18KNO10S2 |
| Purity | ≥95% |
| 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-WBMBWNLZSA-M |
| SMILES | C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.O.[K+] |
| Reference | [1]. Mazumder A, et, al. Sinigrin and Its Therapeutic Benefits. Molecules. 2016 Mar 29;21(4):416. |
