SINIGRIN

Structure

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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 23682211

SINIGRIN

potassium ((E)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)but-3-en-1-ylidene)amino sulfate

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.[K+]

C₁₀H₁₆KNO₉S₂

397.47 g/mol

396.9904 Da

Pathway:

Superclass:

Class:

Glycoside:

Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plant	Plant part	Amount	Reference
Alliaria petiolata (M.Bieb.) Cavara & Grande	-	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Capsella bursa-pastoris (L.) Medik. subsp. bursa-pastoris	-	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Diplotaxis erucoides (L.) DC. subsp. erucoides	seed	-	Al-shehbaz, I.A., Al-shammary, K.I. (1987). Distribution and chemotaxonomic significance of glucosinolates in certain middle-eastern Cruciferae. Biochem Syst Ecol, 15(5), 559-569 doi:10.1016/0305-1978(87)90106-2

Plant	Plant part	Amount	Reference
Alliaria petiolata (M.Bieb.) Cavara & Grande	-	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Capsella bursa-pastoris (L.) Medik. subsp. bursa-pastoris	-	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Diplotaxis erucoides (L.) DC. subsp. erucoides	seed	-	Al-shehbaz, I.A., Al-shammary, K.I. (1987). Distribution and chemotaxonomic significance of glucosinolates in certain middle-eastern Cruciferae. Biochem Syst Ecol, 15(5), 559-569 doi:10.1016/0305-1978(87)90106-2