acompound

Showing entry for 5-octadecenoic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044113
Compound Name	5-octadecenoic acid
Structure
Formula	C18H34O2
InchiKey	LKOVPWSSZFDYPG-WUKNDPDISA-N
SMILES	CCCCCCCCCCCCCCC/C=C/C(=O)O
Inchi	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/b17-16+
IUPAC	(E)-octadec-2-enoic acid
Molecular Weight	282.26
Pubchem Id	5282750
Chembl Id	CHEMBL4292703

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
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	89	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'='	4300	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	8	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Ki	'='	3210	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Ki	'='	5510	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00087	Sea-buckthornberry	Hippophae rhamnoides	Fruits
BXGF02815	Pinellia ternata	Pinellia ternata	Medicinal Plant
BXGF03100	Astragalus complanatus	Astragalus complanatus	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}