Structure database (LMSD)

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LM IDLMFA01050243
Common Name3R-hydroxy-butanoic acid
Systematic Name3R-hydroxy-butanoic acid
SynonymsButanoic acid, 3-hydroxy-, (R)-; Butyric acid, 3-hydroxy-, D-(-)-; (-)-3-
Hydroxy-n-butyric acid; (-)-3-Hydroxybutyric acid; (R)-(-)-β-Hydroxybutyric
acid; (R)-(-)-3-Hydroxybutyric acid; (R)-β-Hydroxybutanoic acid; (R)-β-
Hydroxybutyric acid; (R)-3-
Exact Mass
104.0473 (neutral)    Calculate m/z:
FormulaC4H8O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDAT ID4513
PubChem CID92135
KEGG IDC03197
HMDB IDHMDB0000011
CHEBI ID20067
InChIKeyWHBMMWSBFZVSSR-GSVOUGTGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
SMILESC(C[C@H](O)C)(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
101.49Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP0.13Molar
Refractivity
24.45