General
Preferred name
(S)-3-Hydroxyisobutyric acid
Synonyms
3-Hydroxyisobutyric acid ()
3-Hydroxyisobutyrate (sodium salt) ()
P&D ID
PD102011
CAS
2068-83-9
1219589-99-7
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 3-Hydroxyisobutyric acid is an intermediate in the metabolic pathways of L-valine and thymine, and can be found in urine. 3-Hydroxyisobutyric acid is a secreted mediator of endothelial cell fatty acid transport and insulin resistance. 3-Hydroxyisobutyric acid can also inhibit key enzymes of energy metabolism in the cerebral cortex of young rats. The levels of 3-Hydroxyisobutyric acid are closely related to various diseases such as 3-hydroxyisobutyric aciduria, diabetes, and ketoacidosis[1][2][3][4].
Compound Sets
3
AdooQ Bioactive Compound Library
A18794
Cayman Chemical Bioactives
26105
MedChem Express Bioactive Compound Library
HY-113126
External IDs
31
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
-0.3
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
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
Target
ATP Synthase
Endogenous Metabolite
Source data