acompound

Showing entry for 1,2,3-Propanetricarboxylic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002382
Compound Name	1,2,3-Propanetricarboxylic acid
Structure
Formula	C6H8O6
InchiKey	KQTIIICEAUMSDG-UHFFFAOYSA-N
SMILES	OC(=O)CC(CC(O)=O)C(O)=O
Inchi	InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
IUPAC	propane-1,2,3-tricarboxylic acid
Molecular Weight	176.12
Pubchem Id	14925
Chembl Id	CHEMBL1236394

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
Q99798	BXGT019962	Aconitate hydratase, mitochondrial	reviewed	Enzyme	ACO2	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
Q8EJW4	BXGT018113	2-methyl-aconitate isomerase	reviewed	prpF	-	-	-	-	-
P16276	BXGT008212	Aconitate hydratase, mitochondrial	reviewed	ACO2	-	-	-	-	-

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	BXGT020424	Serine racemase	reviewed	Enzyme	SRR	1300000	-	-	-

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
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	-	-	-
Q9GZT4	BXGT020424	Serine racemase	reviewed	Enzyme	SRR	Ki	'='	1300000	nM
Q9GZT4	BXGT020424	Serine racemase	reviewed	Enzyme	SRR	Inhibition	'='	59	%

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
BXGF00246	Red beetroot	Beta vulgaris var. rubra	Vegetables
BXGF00825	Root vegetables		Vegetables

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}