acompound

Showing entry for (9Z,11E)-13-Oxooctadeca-9,11-Dienoic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0022677
Compound Name	(9Z,11E)-13-Oxooctadeca-9,11-Dienoic Acid
Structure
Formula	C18H30O3
InchiKey	JHXAZBBVQSRKJR-BSZOFBHHSA-N
SMILES	CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)O
Inchi	InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+
IUPAC	(9Z,11E)-13-oxooctadeca-9,11-dienoic acid
Molecular Weight	294.22
Pubchem Id	6446027
Chembl Id	CHEMBL1378466

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	BXGT007827	Arachidonate 15-lipoxygenase	reviewed		ALOX15	-	100000	-	-
reviewed	BXGT004148	Arachidonate 15-lipoxygenase B	reviewed	Enzyme	ALOX15B	-	>100000	-	-
reviewed	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	-	>100000	-	-
reviewed	BXGT008370	Arachidonate 12-lipoxygenase, 12S-type	reviewed	Enzyme	ALOX12	-	>100000	-	-
reviewed	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	-	>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
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	39810	nM
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	IC50	'>'	100000	nM
O15296	BXGT004148	Arachidonate 15-lipoxygenase B	reviewed	Enzyme	ALOX15B	IC50	'>'	100000	nM
P49798	BXGT010745	Regulator of G-protein signaling 4	reviewed	Enzyme modulator	RGS4	Potency	-	597	nM
P12530	BXGT007827	Arachidonate 15-lipoxygenase	reviewed	-	ALOX15	IC50	'='	100000	nM
P18054	BXGT008370	Arachidonate 12-lipoxygenase, 12S-type	reviewed	Enzyme	ALOX12	IC50	'>'	100000	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04961	Carthamus oxyacantha	Carthamus oxyacantha	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}