Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050006
Common Name4-hydroxy-butyric acid (W)
Systematic Name4-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 IDDFA0272
PubChem CID10413
KEGG IDC00989
HMDB IDHMDB0000710
CHEBI ID30830
SWISSLIPIDS IDSLM:000389796
InChIKeySJZRECIVHVDYJC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
SMILESC(CO)CC(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
101.49Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP0.13Molar
Refractivity
24.45