acompound

Showing entry for Raffinose

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042872
Compound Name	Raffinose
Structure
Formula	C18H32O16
InchiKey	MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
SMILES	OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
Inchi	InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1
IUPAC	(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	504.17
Pubchem Id	439242
Chembl Id	CHEMBL603717

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
Q7M4F9	BXGT017020	Lectin CEL-IV, C-type	unreviewed		-	-	-	-	-
P05655	BXGT006375	Levansucrase	reviewed	sacB	-	-	-	-	-
Q1W3Z7	BXGT013853	Beta-fructofuranosidase	unreviewed		-	-	-	-	-
Q9ALJ4	BXGT020073	Alpha-galactosidase AgaA	reviewed	agaA	-	-	-	-	-
Q7N561	BXGT017052	Lectin A	reviewed	pllA	-	-	110000	-	-
A0A083ZM57	BXGT000087	Periplasmic alpha-galactoside-binding protein	unreviewed	SY94_4618	-	-	-	-	-

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

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
BXGF02157	Lablab semen album	Lablab semen album	Others
BXGF03919	Xanthium strumarium	Xanthium strumarium	Medicinal Plant
BXGF04573	Rubia akane	Rubia akane	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF05962	Rehmannia glutinosa	Rehmannia glutinosa	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}