acompound

Showing entry for (-)-2-Hydroxy-2-isopropylbutanedioic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005743
Compound Name	(-)-2-Hydroxy-2-isopropylbutanedioic acid
Structure
Formula	C7H12O5
InchiKey	BITYXLXUCSKTJS-ZETCQYMHSA-N
SMILES	CC(C)[C@@](O)(CC(O)=O)C(O)=O
Inchi	InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1
IUPAC	(2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid
Molecular Weight	176.17
Pubchem Id	5280523
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
B0SN40	BXGT001855	2-isopropylmalate synthase (Alpha-isopropylmalate synthase Alpha-IPM synthetase)	unreviewed	leuA2	-	-	-	-	-

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
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00816	Fats and oils		Fats and oils
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}