Structure Database (LMSD)

Common Name
Phellogenic acid
Systematic Name
Docosanedioic acid
Synonyms
  • Docosan-1,22-dioic acid
  • Felogenic acid
LM ID
LMFA01170037
Status
Active
Exact Mass
Calculate m/z
370.30831
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
DGXRZJSPDXZJFG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
3205
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 419.04
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.96
Molar Refractivity 107.61

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Created at
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Updated at
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