acompound

Showing entry for Heptanenitrile

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004210
Compound Name	Heptanenitrile
Structure
Formula	C7H13N
InchiKey	SDAXRHHPNYTELL-UHFFFAOYSA-N
SMILES	CCCCCCC#N
Inchi	InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3
IUPAC	heptanenitrile
Molecular Weight	111.18
Pubchem Id	12372
Chembl Id	CHEMBL1231869

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
Q8X1D8	BXGT019032	Nitroalkane oxidase	reviewed		-	-	-	-	-

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
BXGF00033	Kohlrabi	Brassica oleracea var. gongylodes	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}