Structure database (LMSD)

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LM IDLMFA01050342
Common Name2S-Hydroxybutanoic acid (W)
Systematic Name2S-hydroxy-butanoic acid
Synonyms2-Hydroxybutanoic acid
Exact Mass
104.0473 (neutral)    Calculate m/z:
FormulaC4H8O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
AbbrevFA 4:0;O
PubChem CID440864
KEGG IDC05984
HMDB IDHMDB00008
CHEBI ID50613
InChIKeyAFENDNXGAFYKQO-VKHMYHEASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
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SMILES
[C@H](O)(CC)C(=O)O
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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