acompound

Showing entry for beta-Hydroxy-beta-methylglutaric acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002904
Compound Name	beta-Hydroxy-beta-methylglutaric acid
Structure
Formula	C6H10O5
InchiKey	NPOAOTPXWNWTSH-UHFFFAOYSA-N
SMILES	CC(O)(CC(O)=O)CC(O)=O
Inchi	InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
IUPAC	3-hydroxy-3-methylpentanedioic acid
Molecular Weight	162.14
Pubchem Id	1662
Chembl Id	CHEMBL50444

Targets of Information Source

DrugBank

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
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	experimental	-

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
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	HMGCR	-	-	-	-	-
Q6DNF2	BXGT016252	CurA	unreviewed	curA	-	-	-	-	-

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	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed		HMGCR	-	4000	-	-
reviewed	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed		HMGCR	23.5	-	-	-

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
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	Ki	'='	23	nM
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	IC50	'='	4000	nM
P51639	BXGT010870	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	Hmgcr	Inhibition	'='	0	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00022	Oat	Avena sativa	Cereals and cereal products
BXGF00101	Flaxseed	Linum usitatissimum	Herbs and Spices
BXGF04889	Pogostemon cablin	Pogostemon cablin	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}