β-D-hydroxybutyric acid   

GtoPdb Ligand ID: 1593

Synonyms: (R)-3-hydroxybutanoate | 3-hydroxybutyrate
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 57.53
Molecular weight 104.05
XLogP -0.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(CC(=O)O)O
Isomeric 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-/m1/s1
InChI Key WHBMMWSBFZVSSR-GSVOUGTGSA-N
Natural/Endogenous Targets
Target
HCA2 receptor
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Monocarboxylate transporter 1
SMCT1
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
HCA2 receptor Mm Agonist Full agonist 3.5 pEC50 - 1
pEC50 3.5 [1]
HCA2 receptor Hs Agonist Full agonist 3.1 pEC50 - 1
pEC50 3.1 [1]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference