acompound

Showing entry for 4-Methylpentanoic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004233
Compound Name	4-Methylpentanoic acid
Structure
Formula	C6H12O2
InchiKey	FGKJLKRYENPLQH-UHFFFAOYSA-N
SMILES	CC(C)CCC(O)=O
Inchi	InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
IUPAC	4-methylpentanoic acid
Molecular Weight	116.16
Pubchem Id	12587
Chembl Id	CHEMBL1230308

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
P0AB80	BXGT007219	Branched-chain-amino-acid aminotransferase	reviewed	-	ilvE	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
P0AB80	BXGT007219	Branched-chain-amino-acid aminotransferase	reviewed	ilvE	-	-	-	-	-
Q5SLR3	BXGT015817	2-oxoisovalerate dehydrogenase subunit beta	reviewed	TTHA0230	-	-	-	-	-
P54687	BXGT011067	Branched-chain-amino-acid aminotransferase, cytosolic	reviewed	BCAT1	Enzyme	-	-	-	-
Q5SLE6	BXGT015799	Cysteine synthase	unreviewed	TTHA0347	-	-	-	-	-
Q5SM19	BXGT015827	Branched-chain-amino-acid aminotransferase	unreviewed	ilvE	-	-	-	-	-

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00012	Pineapple	Ananas comosus	Fruits
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00393	Pepper (C. frutescens)	Capsicum annuum var. annuum	Vegetables
BXGF00811	Citrus		Fruits
BXGF00823	Fruits		Fruits
BXGF00829	Green bell pepper	Capsicum annuum	Vegetables
BXGF00830	Yellow bell pepper	Capsicum annuum	Vegetables
BXGF00831	Orange bell pepper	Capsicum annuum	Vegetables
BXGF00832	Red bell pepper	Capsicum annuum	Vegetables

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}