Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050004
Common Name(+/-)α-hydoxy butyric acid (W)
Systematic Name2-hydroxy-butanoic acid
Synonyms-
Exact Mass
104.0473 (neutral)    Calculate m/z:
FormulaC4H8O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDBANK IDDFA0270
PubChem CID11266
KEGG IDC05984
HMDB IDHMDB0000008
CHEBI ID1148
InChIKeyAFENDNXGAFYKQO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
SMILESC(C)C(O)C(=O)O
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