General
Preferred name
beta-Hydroxybutyrate
Synonyms
BUTANOIC ACID ()
3-Hydroxybutyric acid ()
3-hydroxybutanoic acid, ??Hydroxybutyric acid, BHB ()
3-HYDROXYBUTYRIC ACID, (+/-)- ()
β-Hydroxybutyric acid ()
3-hydroxybutanoic acid, ¦Â-Hydroxybutyric acid, BHB ()
D,l-3 hydroxybutyrate ()
Beta-hydroxy-butyrate ()
NSC-3806 ()
Hydroxybutyric acid, dl- ()
3-HYDROXYBUTANOATE ()
(±)-.beta.-Hydroxybutyrate-d4 (sodium salt) ()
(±)-?-Hydroxybutyrate ()
P&D ID
PD057066
CAS
300-85-6
26063-00-3
1219804-68-8
Tags
drug candidate
natural product
available
Drug Status
investigational
Max Phase
Phase 1
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
9
AdooQ Bioactive Compound Library
ChEMBL Drugs
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
Other bioactive compounds
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
49
Properties
(calculated by RDKit )
Molecular Weight
104.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.16
TPSA
57.53
Fraction CSP3
0.75
Chiral centers
1.0
Largest ring
0.0
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Human Endogenous Metabolite
HCAR2
MOA
Endogenous Metabolite
Source data
