Structure Database (LMSD)

Common Name
Propionic acid
Systematic Name
propanoic acid
Synonyms
  • Pseudoacetic acid
  • propionate
  • Methylacetic acid
  • Ethanecarboxylic acid
  • Ethylformic acid
  • C3:0
LM ID
LMFA01010003
Formula
Exact Mass
Calculate m/z
74.03678
Sum Composition
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
XBDQKXXYIPTUBI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
SMILES (Click to copy)
CCC(=O)O

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0003
PubChem CID
PlantFA ID
SwissLipids ID
PDB ID
GuidePharm ID

Calculated Physicochemical Properties

Heavy Atoms 5
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 75.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 0.48
Molar Refractivity 17.93

Reactions

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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022