acompound

Showing entry for 3-Methyl-2-oxobutanoic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005944
Compound Name	3-Methyl-2-oxobutanoic acid
Structure
Formula	C5H8O3
InchiKey	QHKABHOOEWYVLI-UHFFFAOYSA-N
SMILES	CC(C)C(=O)C(O)=O
Inchi	InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)
IUPAC	3-methyl-2-oxobutanoic acid
Molecular Weight	116.12
Pubchem Id	49
Chembl Id	CHEMBL146554

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
Q9JZW6	BXGT020860	3-methyl-2-oxobutanoate hydroxymethyltransferase	reviewed	-	panB	experimental	-
P18548	BXGT008413	Deacetoxycephalosporin C synthase	reviewed	-	cefE	experimental	-
P9WQB3	BXGT012499	2-isopropylmalate synthase	reviewed	-	leuA	experimental	-
O15382	BXGT004160	Branched-chain-amino-acid aminotransferase, mitochondrial	reviewed	Enzyme	BCAT2	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
P18548	BXGT008413	Deacetoxycephalosporin C synthase	reviewed	cefE	-	-	-	-	-
O15382	BXGT004160	Branched-chain-amino-acid aminotransferase, mitochondrial	reviewed	BCAT2	Enzyme	-	-	-	-
Q9JZW6	BXGT020860	3-methyl-2-oxobutanoate hydroxymethyltransferase	reviewed	panB	-	-	-	-	-
P9WQB3	BXGT012499	2-isopropylmalate synthase	reviewed	leuA	-	-	-	-	-
P9WQB3	BXGT012499	2-isopropylmalate synthase	reviewed	leuA	-	-	-	120	-
B0SN40	BXGT001855	2-isopropylmalate synthase (Alpha-isopropylmalate synthase Alpha-IPM synthetase)	unreviewed	leuA2	-	-	-	-	-
Q70LM7	BXGT016682	Linear gramicidin synthase subunit A	reviewed	lgrA	-	-	-	-	-

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
Q66HS9	BXGT016172	Monocarboxylate transporter 2	unreviewed	-	Slc16a7	Ki	'='	300000	nM
P53987	BXGT011023	Monocarboxylate transporter 1	reviewed	-	Slc16a1	Km	'='	1250000	nM
O15427	BXGT004167	Monocarboxylate transporter 4	reviewed	Transporter	SLC16A3	Km	'='	113000000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00806	Alcoholic beverages		Beverages
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00812	Cocoa and cocoa products		Cocoa and cocoa products
BXGF00815	Milk and milk products		Milk and milk products
BXGF00823	Fruits		Fruits
BXGF00824	Green vegetables		Vegetables
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	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}