Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050385
Common Name2,4-dihydroxy-butanoic acid
Systematic Name2,4-dihydroxy-butanoic acid
Synonyms-
Exact Mass
120.0423 (neutral)    Calculate m/z:
FormulaC4H8O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
PubChem CID192742
HMDB IDHMDB0000360
InChIKeyUFYGCFHQAXXBCF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8)
SMILESC(=O)(O)C(O)CCO
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
110.28Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP-0.61Molar
Refractivity
26.35