acompound

Showing entry for (9S,10E,12Z)-9-Hydroxyoctadeca-10,12-Dienoic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032691
Compound Name	(9S,10E,12Z)-9-Hydroxyoctadeca-10,12-Dienoic Acid
Structure
Formula	C18H32O3
InchiKey	NPDSHTNEKLQQIJ-UINYOVNOSA-N
SMILES	CCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)O)O
Inchi	InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1
IUPAC	(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid
Molecular Weight	296.24
Pubchem Id	5312830
Chembl Id	CHEMBL1230670

Targets of Information Source

DrugBank

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
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	experimental	-

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
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	PPARG	Nuclear receptor	-	-	-	-

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
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	7943	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00181	Dandelion	Taraxacum officinale	Herbs and Spices
BXGF01668	Taraxacum platycarpum	Taraxacum platycarpum	Medicinal Plant
BXGF02152	Taraxacum borealisinense	Taraxacum borealisinense	Others
BXGF03630	Taraxacum coreanum	Taraxacum coreanum	Others
BXGF04310	Taraxacum mongolicum	Taraxacum mongolicum	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}