Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01060077
Common NamePyruvic acid (W)
Systematic Name2-oxo-propionic acid
Synonymsα-keto propionic acid
Exact Mass
88.0160 (neutral)    Calculate m/z:
FormulaC3H4O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
LIPIDBANK IDDFA0385
PubChem CID1060
KEGG IDC00022
HMDB IDHMDB0000243
CHEBI ID15361
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
SMILESCC(=O)C(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms6Rings0Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
81.55Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP-0.34Molar
Refractivity
18.32