CAS 21414-41-5: Glucoraphanin
Description:Glucoraphanin is a naturally occurring glucosinolate, primarily found in cruciferous vegetables such as broccoli and Brussels sprouts. It is a sulfur-containing compound that plays a significant role in the plant's defense mechanisms against pests and diseases. Glucoraphanin is notable for its potential health benefits, particularly its role as a precursor to sulforaphane, a compound known for its antioxidant and anti-cancer properties. When glucoraphanin is hydrolyzed by the enzyme myrosinase, it converts into sulforaphane, which has been studied for its ability to activate detoxification enzymes and protect against oxidative stress. The compound is water-soluble and has a relatively stable structure, although it can be affected by cooking methods that denature myrosinase. Research suggests that regular consumption of glucoraphanin-rich foods may contribute to improved health outcomes, including reduced risk of certain chronic diseases. Its CAS number, 21414-41-5, is used for identification in chemical databases and regulatory contexts.
Formula:C12H23NO10S3
InChI:InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/t7-,9-,10+,11-,12+,25?/m1/s1
InChI key:InChIKey=GMMLNKINDDUDCF-SISVVIKZSA-N
SMILES:O=S(C)CCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
- Synonyms:
- 1-S-[(1E)-5-(methylsulfinyl)-N-(sulfonatooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose
- 4-Methylsulfinylbutyl glucosinolate
- Ccris 9055
- Glucopyranose, 1-thio-, 1-[5-(methylsulfinyl)valerohydroximate] NO-(hydrogen sulfate), β-<span class="text-smallcaps">D</span>-
- Glucorafanin
- Sulforaphane glucosinolate
- beta-D-Glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate)
- β-<span class="text-smallcaps">D</span>-Glucopyranose, 1-thio-, 1-[5-(methylsulfinyl)-N-(sulfooxy)pentanimidate]
- β-D-Glucopyranose, 1-thio-, 1-[5-(methylsulfinyl)-N-(sulfooxy)pentanimidate]
- Glucoraphanin
- See more synonyms
- Glucopyranose, 1-thio-, 1-[5-(methylsulfinyl)valerohydroximate] NO-(hydrogen sulfate), β-D-
