acompound

Showing entry for Pantothenic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0048190
Compound Name	Pantothenic Acid
Structure
Formula	C9H17NO5
InchiKey	GHOKWGTUZJEAQD-ZETCQYMHSA-N
SMILES	OCC([C@H](C(=NCCC(=O)O)O)O)(C)C
Inchi	InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1
IUPAC	3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
Molecular Weight	219.11
Pubchem Id	6613
Chembl Id	CHEMBL1594

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
P0A6I3	BXGT007057	Pantothenate kinase	reviewed	-	coaA	approved; nutraceutical; vet_approved	-

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
P0A6I3	BXGT007057	Pantothenate kinase	reviewed	coaA	-	-	-	-	-
Q9HWC1	BXGT020632	Type III pantothenate kinase	reviewed	coaX	-	-	-	-	-
P9WPA7	BXGT012444	Pantothenate kinase	reviewed	coaA	-	-	-	-	-
Q9WZY5	BXGT022041	Type III pantothenate kinase	reviewed	coaX	-	-	-	2700	-
Q9PIK2	BXGT021331	Pantothenate synthetase	reviewed	panC	-	-	-	-	-
Q2T1M2	BXGT014205	Type III pantothenate kinase	reviewed	coaX	-	-	-	-	-
B4E9P3	BXGT002098	Type III pantothenate kinase	reviewed	coaX	-	-	-	-	-
Q9BZ23	BXGT020194	Pantothenate kinase 2, mitochondrial	reviewed	PANK2	Kinase	-	-	-	-
Q9H999	BXGT020500	Pantothenate kinase 3	reviewed	PANK3	Kinase	-	-	-	-

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
Q8VC69	BXGT018912	Solute carrier family 22 member 6	reviewed	-	Slc22a6	Activity	-	-	-
Q6G7I0	BXGT016297	Type II pantothenate kinase	reviewed	-	coaW	Km	'='	19000	nM
O95342	BXGT005373	Bile salt export pump	reviewed	Transporter	ABCB11	IC50	'>'	1000000	nM
Q9HWC1	BXGT020632	Type III pantothenate kinase	reviewed	-	coaX	Ratio	'='	20	/mM/s
Q9HWC1	BXGT020632	Type III pantothenate kinase	reviewed	-	coaX	Km	'='	20000	nM
Q9HWC1	BXGT020632	Type III pantothenate kinase	reviewed	-	coaX	Kcat	'='	0	/s
Q6G7I0	BXGT016297	Type II pantothenate kinase	reviewed	-	coaW	Kcat	'='	2	/s
Q6G7I0	BXGT016297	Type II pantothenate kinase	reviewed	-	coaW	Ratio	'='	115	/mM/s

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02268	Ginkgo semen	Ginkgo semen	Others
BXGF04303	Anemarrhena asphodeloides	Anemarrhena asphodeloides	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}