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00290

Supelco

(−)-Sinigrin hydrate

analytical standard

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About This Item

Empirical Formula (Hill Notation):
C10H16KNO9S2 · xH2O
CAS Number:
3952-98-5
Molecular Weight:
397.46 (anhydrous basis)
MDL number:
MFCD00149447
UNSPSC Code:
85151701
PubChem Substance ID:
329747031
NACRES:
NA.24

Quality Level

100

grade

analytical standard

Assay

≥99.0% (TLC)

optical activity

[α]/D -17.0±1°, c = 1 in H2O

shelf life

limited shelf life, expiry date on the label

impurities

≤6.0% water

mp

128 (dec.) (lit.)

application(s)

food and beverages

format

neat

SMILES string

[K+].[H]O[H].OC[C@H]1O[C@@H](S\C(CC=C)=N\OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

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

InChI key

IUBVMJHASFBYGW-WBMBWNLZSA-M

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Biochem/physiol Actions

A β-D-thioglucopyranoside occurring in black mustard seeds and horseradish root. Substrate for thioglucosidase.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H317

Hazard Classifications

Skin Sens. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM2025
BCCH8863
BCCD2474
BCBW5081
BCBQ0969V

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Proceedings of the National Academy of Sciences of the United States of America, 109(28), 11240-11245 (2012-06-27)
Although reciprocal evolutionary responses between interacting species are a driving force behind the diversity of life, pairwise coevolution between plant competitors has received less attention than other species interactions and has been considered relatively less important in explaining ecological patterns.
Jóska Gerendás et al.
Journal of agricultural and food chemistry, 57(9), 3837-3844 (2009-03-25)
Food derived from Brassica species is rich in glucosinolates. Hydrolysis of these compounds by myrosinase yields isothiocyanates and other breakdown products, which due to their pungency represent the primary purpose of Indian mustard cultivation. Strong interactive effects of S (0.0
Derek Andersson et al.
Phytochemistry, 70(11-12), 1345-1354 (2009-08-26)
Myrosinases (EC 3.2.1.147) are beta-thioglucoside glucosidases present in Brassicaceae plants. These enzymes serve to protect plants against pathogens and insect pests by initiating breakdown of the secondary metabolites glucosinolates into toxic products. Several forms of myrosinases are present in plants
S Herzallah et al.
Journal of food protection, 74(12), 2162-2168 (2011-12-22)
The glucosinolate sinigrin (SNG) is converted by endogenous plant myrosinase or by bacterial myrosinase-like activity to form the potent antimicrobial allyl isothiocyanate. In order to use SNG as a natural antimicrobial precursor in food, it became important to better understand
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