acompound

Showing entry for Aconitic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004281
Compound Name	Aconitic acid
Structure
Formula	C6H6O6
InchiKey	GTZCVFVGUGFEME-IWQZZHSRSA-N
SMILES	OC(=O)C\C(=C\C(O)=O)C(O)=O
Inchi	InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
IUPAC	(1Z)-prop-1-ene-1,2,3-tricarboxylic acid
Molecular Weight	174.11
Pubchem Id	643757
Chembl Id	CHEMBL347285

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	BXGT008250	ATP-citrate synthase	reviewed		Acly	>1000000	-	-	-
reviewed	BXGT020209	Alpha-ketoglutarate-dependent dioxygenase FTO	reviewed		FTO	-	>1000000	-	-

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
P16638	BXGT008250	ATP-citrate synthase	reviewed	-	Acly	Ki	'>'	1000000	nM
P16638	BXGT008250	ATP-citrate synthase	reviewed	-	Acly	Ki	-	-	-
Q9C0B1	BXGT020209	Alpha-ketoglutarate-dependent dioxygenase FTO	reviewed	-	FTO	IC50	'>'	1000000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00022	Oat	Avena sativa	Cereals and cereal products
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00085	Soy bean	Glycine max	Soy
BXGF00086	Sunflower	Helianthus annuus	Herbs and Spices
BXGF00088	Barley	Hordeum vulgare	Cereals and cereal products
BXGF00097	Sweet bay	Laurus nobilis	Herbs and Spices
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00246	Red beetroot	Beta vulgaris var. rubra	Vegetables
BXGF00808	Pomes		Fruits
BXGF00823	Fruits		Fruits
BXGF02582	Aconitum kusnezoffii reichb	Aconitum kusnezoffii reichb	Others
BXGF03647	Aconitum napellus	Aconitum napellus	Medicinal Plant
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	Medicinal Plant
BXGF04812	Meconopsis punicea	Meconopsis punicea	Medicinal Plant
BXGF04817	Euonymus alatus	Euonymus alatus	Medicinal Plant
BXGF04873	Papaver bracteatum	Papaver bracteatum	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}