acompound

Showing entry for 9-Octadecynoic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0051383
Compound Name	9-Octadecynoic Acid
Structure
Formula	C18H32O2
InchiKey	RGTIBVZDHOMOKC-UHFFFAOYSA-N
SMILES	CCCCCCCCC#CCCCCCCCC(=O)O
Inchi	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)
IUPAC	octadec-9-ynoic acid
Molecular Weight	280.24
Pubchem Id	68167
Chembl Id	CHEMBL482804

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	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed		HMGCR	-	5000	-	-

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
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	IC50	'='	5000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF05012	Linum album	Linum album	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}