Molecular Identity
3-hydroxybutyrate
3-hydroxybutanoate
PubChem CID: 3541112
3-hydroxybutyrate is a hydroxy fatty acid anion that is the conjugate base of 3-hydroxybutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a human metabolite. It is functionally related to a butyrate. It is a conjugate base of a 3-hydroxybutyric acid.
2D Structure
Properties
C4H7O3-
Molecular Formula
103.10
Molecular Weight
g/mol
103.0395
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
60.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
63
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
3-hydroxybutyratebeta-hydroxybutanoate3-OH butyrate3-OH-butyrateFG2UN5EP9Vbeta-hydroxy-n-butyrate151-03-1CHEBI:370543 Hydroxybutyratebeta HydroxybutyrateRefChem:942703-hydroxybutanoatebeta-hydroxybutyrateUNII-FG2UN5EP9VButanoic acid, 3-hydroxy-, ION(1-)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 3-hydroxybutyrate
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