acompound

Showing entry for Shikimic acid 3-phosphate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000890
Compound Name	Shikimic acid 3-phosphate
Structure
Formula	C7H11O8P
InchiKey	QYOJSKGCWNAKGW-PBXRRBTRSA-N
SMILES	O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C(O)=O
Inchi	InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1
IUPAC	(3R,4S,5R)-4,5-dihydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
Molecular Weight	254.13
Pubchem Id	121947
Chembl Id	CHEMBL95193

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
P0A6D3	BXGT007048	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	-	aroA	experimental	-
Q9S400	BXGT021558	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	-	aroA	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
P0A6D3	BXGT007048	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	aroA	-	-	-	-	-
Q9S400	BXGT021558	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	aroA	-	-	-	-	-
Q9R4E4	BXGT021428	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	aroA	-	-	-	-	-
P9WPY3	BXGT012478	Shikimate kinase	reviewed	aroK	-	-	-	-	-
P9WPY5	BXGT012479	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	aroA	-	-	-	-	-
P0A6D3	BXGT007048	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	aroA	-	-	66000	-	-
P0A6D3	BXGT007048	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	aroA	-	5500	-	-	-
P0A6D3	BXGT007048	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	aroA	-	66000	-	-	-
P56073	BXGT011143	Shikimate kinase	reviewed	aroK	-	-	-	-	-
Q9KRB0	BXGT020987	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	aroA	-	-	-	-	-
Q83E11	BXGT017502	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	aroA	-	-	-	-	-

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	BXGT007048	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed		aroA	-	-	7000	-

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
P0A6D3	BXGT007048	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	-	aroA	Kd	'='	7000	nM
P0A6D3	BXGT007048	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	-	aroA	Kd	'='	8000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00205	Corn	Zea mays	Cereals and cereal products

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}