acompound

Showing entry for 12-octadecenoic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0052172
Compound Name	12-octadecenoic acid
Structure
Formula	C18H34O2
InchiKey	OXEDXHIBHVMDST-SREVYHEPSA-N
SMILES	CCCCC/C=C\CCCCCCCCCCC(=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/h6-7H,2-5,8-17H2,1H3,(H,19,20)/b7-6-
IUPAC	(Z)-octadec-12-enoic acid
Molecular Weight	282.26
Pubchem Id	446285
Chembl Id	CHEMBL1917278

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

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
reviewed	BXGT010849	Dual specificity protein phosphatase 3	reviewed		DUSP3	-	51800	-	-
reviewed	BXGT009802	Tyrosine-protein phosphatase non-receptor type 7	reviewed	Enzyme	PTPN7	-	>100000	-	-

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
P35236	BXGT009802	Tyrosine-protein phosphatase non-receptor type 7	reviewed	Enzyme	PTPN7	IC50	'>'	100000	nM
P51452	BXGT010849	Dual specificity protein phosphatase 3	reviewed	-	DUSP3	IC50	'='	51800	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02567	Lycium chinense	Lycium chinense	Medicinal Plant
BXGF03645	Lycium barbarum	Lycium barbarum	Medicinal Plant
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03865	Hansenia forbesii	Hansenia forbesii	Others
BXGF04900	Ostericum grosseserratum	Ostericum grosseserratum	Human Edible 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}