acompound

General Compound Information
BXGC Id	BXGC0006007
Compound Name	Sinigrin
Structure
Formula	C10H17NO9S2
InchiKey	PHZOWSSBXJXFOR-PTGZALFTSA-N
SMILES	OC[C@H]1O[C@@H](S\C(=N\OS(O)(=O)=O)CC=C)[C@H](O)[C@@H](O)[C@@H]1O
Inchi	InChI=1S/C10H17NO9S2/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)/b11-6+/t5-,7-,8+,9-,10+/m1/s1
IUPAC	{[(E)-(1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}but-3-en-1-ylidene)amino]oxy}sulfonic acid
Molecular Weight	359.37
Pubchem Id	6911854
Chembl Id

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Q9C9C9	BXGT020225	Cytosolic sulfotransferase 18	reviewed	SOT18	-	-	-	-	-

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00018	Horseradish	Armoracia rusticana	Herbs and Spices
BXGF00027	Chinese mustard	Brassica juncea	Vegetables
BXGF00030	Common cabbage	Brassica oleracea	Vegetables
BXGF00031	Cauliflower	Brassica oleracea var. botrytis	Vegetables
BXGF00034	Broccoli	Brassica oleracea var. italica	Vegetables
BXGF00039	Capers	Capparis spinosa	Herbs and Spices
BXGF00099	Garden cress	Lepidium sativum	Vegetables
BXGF00153	Radish	Raphanus sativus	Vegetables
BXGF00380	White mustard	Sinapis alba	Herbs and Spices
BXGF00458	Wasabi	Wasabia japonica	Herbs and Spices
BXGF00803	Cabbage	Brassica oleracea var. capitata	Vegetables
BXGF00809	Brassicas		Vegetables
BXGF00839	White cabbage	Brassica oleracea L. var. capitata L. f. alba DC.	Vegetables
BXGF01596	Sinapis semen	Sinapis semen	Others
BXGF02317	Krameria parvifolia	Krameria parvifolia	Others
BXGF02372	Aesculus turbinata	Aesculus turbinata	Medicinal Plant
BXGF02390	Argyreia speciosa	Argyreia speciosa	Medicinal Plant
BXGF02465	Vernonia profuga	Vernonia profuga	Others
BXGF02578	Artocarpus styracifolius	Artocarpus styracifolius	Human Edible Plant
BXGF02779	Swertia chinensis	Swertia chinensis	Medicinal Plant
BXGF02821	Forsythia giraldiana	Forsythia giraldiana	Others
BXGF02892	Dorstenia mannii	Dorstenia mannii	Medicinal Plant
BXGF03560	Alnus alnobetula	Alnus alnobetula	Others
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}