Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA06000118
Common NameSuccinic acid semialdehyde
Systematic Name4-oxo-butanoic acid
Synonyms-
Exact Mass
102.0317 (neutral)    Calculate m/z:
FormulaC4H6O3
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
PubChem CID1112
HMDB IDHMDB0001259
InChIKeyUIUJIQZEACWQSV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
SMILESC(=O)(O)CCC=O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
98.85Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP0.05Molar
Refractivity
22.93