Structure Database (LMSD)
Common Name
D(-)-beta-hydroxy butyric acid
Systematic Name
3-hydroxy-butanoic acid
Synonyms
3D model of D(-)-beta-hydroxy butyric acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
(±)-β-Hydroxybutyrate (βOHB) is an endogenous and specific inhibitor of class I histone deacetylases (HDACs), increasing acetylation of histones in a dose-dependent manner.1 It does not increase acetylation of α-tubulin, indicating that it does not inhibit the class IIb HDAC6.1 Fasting or caloric restriction, two conditions associated with increased βOHB abundance, increases global histone acetylation in mouse tissues.1
This information has been provided by Cayman Chemical
References
String Representations
InChiKey (Click to copy)
WHBMMWSBFZVSSR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
SMILES (Click to copy)
C(O)(C)CC(=O)O
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0271
PubChem CID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
101.49
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
0.13
Molar Refractivity
24.45
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Created at
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Updated at
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