acompound

Showing entry for Hexadecenic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0003166
Compound Name	Hexadecenic acid
Structure
Formula	C16H30O2
InchiKey	ZVRMGCSSSYZGSM-CCEZHUSRSA-N
SMILES	CCCCCCCCCCCCC\C=C\C(O)=O
Inchi	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+
IUPAC	(2E)-hexadec-2-enoic acid
Molecular Weight	254.41
Pubchem Id	5282743
Chembl Id	CHEMBL4285532

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

n.a

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

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	4	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	73	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'='	7900	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00043	Caraway	Carum carvi	Herbs and Spices
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF03152	Sophora japonica	Sophora japonica	Medicinal Plant
BXGF03199	Combretum indicum	Combretum indicum	Medicinal Plant
BXGF05863	Allium azureum ledeb	Allium azureum ledeb	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}