acompound

Showing entry for Ethyl Fumarate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043816
Compound Name	Ethyl Fumarate
Structure
Formula	C6H8O4
InchiKey	XLYMOEINVGRTEX-ONEGZZNKSA-N
SMILES	CCOC(=O)/C=C/C(=O)O
Inchi	InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+
IUPAC	(E)-4-ethoxy-4-oxobut-2-enoic acid
Molecular Weight	144.04
Pubchem Id	5358902
Chembl Id	CHEMBL1771637

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

n.a

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

Binding DB

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
reviewed	BXGT018812	Hydroxycarboxylic acid receptor 2	reviewed		HCAR2	410	-	-	-

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
Q8TDS4	BXGT018812	Hydroxycarboxylic acid receptor 2	reviewed	-	HCAR2	Ki	'='	410	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02362	Prunus serrulata var. spontanea	Prunus serrulata var. spontanea	Medicinal Plant
BXGF02367	Phonus arborescens	Phonus arborescens	Others
BXGF05115	Andrographis paniculata	Andrographis paniculata	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}