acompound

Showing entry for (S)-3-hydroxybutanoic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025013
Compound Name	(S)-3-hydroxybutanoic acid
Structure
Formula	C4H8O3
InchiKey	WHBMMWSBFZVSSR-VKHMYHEASA-N
SMILES	C[C@@H](CC(=O)O)O
Inchi	InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
IUPAC	(3S)-3-hydroxybutanoic acid
Molecular Weight	104.05
Pubchem Id	94318
Chembl Id	CHEMBL1162497

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

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
Q5SLE6	BXGT015799	Cysteine synthase	unreviewed	TTHA0347	-	-	-	-	-
Q5KST5	BXGT015460	D(-)-3-hydroxybutyrate dehydrogenase	unreviewed		-	-	-	-	-
I6Y9J2	BXGT003712	L,D-transpeptidase 2	reviewed	ldtB	-	-	-	-	-
I3VE75	BXGT024173	2-hydroxyisobutyryl-CoA synthetase	unreviewed	hcl	-	-	-	-	-

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	BXGT018912	Solute carrier family 22 member 6	reviewed		Slc22a6	3220000	-	-	-
reviewed	BXGT018912	Solute carrier family 22 member 6	reviewed		Slc22a6	3320000	-	-	-
reviewed	BXGT017282	Solute carrier family 22 member 20	reviewed		Slc22a20	190546.07	-	-	-
reviewed	BXGT018912	Solute carrier family 22 member 6	reviewed		Slc22a6	3235936.57	-	-	-

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
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	145	nM
Q80UJ1	BXGT017282	Solute carrier family 22 member 20	reviewed	-	Slc22a20	Ki	'='	190546	nM
Q8VC69	BXGT018912	Solute carrier family 22 member 6	reviewed	-	Slc22a6	Ki	'='	3220000	nM
O15427	BXGT004167	Monocarboxylate transporter 4	reviewed	Transporter	SLC16A3	Km	'='	824000000	nM
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	1000	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	79432	nM
Q8VC69	BXGT018912	Solute carrier family 22 member 6	reviewed	-	Slc22a6	Ki	'='	3320000	nM
Q8VC69	BXGT018912	Solute carrier family 22 member 6	reviewed	-	Slc22a6	Ki	'='	3235936	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	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}