acompound

Showing entry for N-[(2S,3R,4E,8E)-1,3-Dihydroxyoctadeca-4,8-Dien-2-Yl]Hexadecanamide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0012843
Compound Name	N-[(2S,3R,4E,8E)-1,3-Dihydroxyoctadeca-4,8-Dien-2-Yl]Hexadecanamide
Structure
Formula	C34H65NO3
InchiKey	GMWIWVUTMCBDSP-ILAZMTIGSA-N
SMILES	CCCCCCCCCCCCCCCC(=N[C@H]([C@@H](/C=C/CC/C=C/CCCCCCCCC)O)CO)O
Inchi	InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,32-33,36-37H,3-18,20,22-26,28,30-31H2,1-2H3,(H,35,38)/b21-19+,29-27+/t32-,33+/m0/s1
IUPAC	N-[(2S,3R,4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide
Molecular Weight	535.5
Pubchem Id	14331917
Chembl Id	CHEMBL37460

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	BXGT007727	Cholesteryl ester transfer protein	reviewed		CETP	-	46800	-	-

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
P11597	BXGT007727	Cholesteryl ester transfer protein	reviewed	-	CETP	IC50	'='	46800	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

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}