acompound

Showing entry for 4-Methyl-2-oxopentanoic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0006215
Compound Name	4-Methyl-2-oxopentanoic acid
Structure
Formula	C6H10O3
InchiKey	BKAJNAXTPSGJCU-UHFFFAOYSA-N
SMILES	CC(C)CC(=O)C(O)=O
Inchi	InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
IUPAC	4-methyl-2-oxopentanoic acid
Molecular Weight	130.14
Pubchem Id	70
Chembl Id	CHEMBL445647

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
P18548	BXGT008413	Deacetoxycephalosporin C synthase	reviewed	-	cefE	experimental	-
P17584	BXGT008319	D-2-hydroxyisocaproate dehydrogenase	reviewed	-	-	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
P17584	BXGT008319	D-2-hydroxyisocaproate dehydrogenase	reviewed		-	-	-	-	-
P18548	BXGT008413	Deacetoxycephalosporin C synthase	reviewed	cefE	-	-	-	-	-
P09061	BXGT006855	2-oxoisovalerate dehydrogenase subunit beta	reviewed	bkdA2	-	-	-	-	-
Q5SLR4	BXGT015818	2-oxoisovalerate dehydrogenase subunit alpha	reviewed	TTHA0229	-	-	-	-	-
O15382	BXGT004160	Branched-chain-amino-acid aminotransferase, mitochondrial	reviewed	BCAT2	Enzyme	-	-	6100000	-
E3YBA4	BXGT003116	Methanobactin mb-OB3b	reviewed	mbnA	-	-	-	-	-
P9WQB3	BXGT012499	2-isopropylmalate synthase	reviewed	leuA	-	-	-	-	-
Q9RTX5	BXGT021506	Branched-chain-amino-acid aminotransferase	unreviewed	DR_1626	-	-	-	-	-
Q890V3	BXGT017734	Meso-diaminopimelate D-dehydrogenase	unreviewed	CTC_02532	-	-	-	-	-
Q00972	BXGT012557	[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial	reviewed	Bckdk	-	-	-	-	-
C8WZ86	BXGT002644	Extracellular ligand-binding receptor	unreviewed	Dret_0059	-	-	-	-	-

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
O15427	BXGT004167	Monocarboxylate transporter 4	reviewed	Transporter	SLC16A3	Km	'='	95000000	nM
P53987	BXGT011023	Monocarboxylate transporter 1	reviewed	-	Slc16a1	Km	'='	670000	nM
P53987	BXGT011023	Monocarboxylate transporter 1	reviewed	-	Slc16a1	Activity	'='	13	%
Q66HS9	BXGT016172	Monocarboxylate transporter 2	unreviewed	-	Slc16a7	Ki	'='	100000	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
BXGF00812	Cocoa and cocoa products		Cocoa and cocoa products
BXGF00815	Milk and milk products		Milk and milk products
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00823	Fruits		Fruits
BXGF00824	Green vegetables		Vegetables
BXGF05203	Chlamydomonas reinhardtii	Chlamydomonas reinhardtii	Others

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}