Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01010003
Common NamePropionic acid (W)
Systematic Namepropanoic acid
SynonymsPseudoacetic acid; propionate;Methylacetic acid; Ethanecarboxylic acid;
Ethylformic acid; C3:0
Exact Mass
74.0368 (neutral)    Calculate m/z:
FormulaC3H6O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0003
PubChem Compound ID (CID)1032
METABOLOMICS ID-
KEGG IDC00163
HMDB IDHMDB00237
YMDB ID-
CHEBI ID30768
InChIKeyXBDQKXXYIPTUBI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms5Rings0Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
75.40Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP0.48Molar
Refractivity
17.93    
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