Structure Database (LMSD)

Common Name
Anandamide (20:5, n-3)
Systematic Name
N-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-ethanolamine
Synonyms
  • N-cis-5,8, 11,14,17-eicosapentaenoylethanolamine
LM ID
LMFA08040008
Status
Active
Exact Mass
Calculate m/z
345.266779
Formula
Abbrev


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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)
OVKKNJPJQKTXIT-JLNKQSITSA-N
InChi (Click to copy)
InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h3-4,6-7,9-10,12-13,15-16,24H,2,5,8,11,14,17-21H2,1H3,(H,23,25)/b4-3-,7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(/C/C=C\C/C=C\C/C=C\CC)=C/C/C=C\CCCC(=O)NCCO

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 401.90
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.59
Molar Refractivity 109.39

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Created at
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Updated at
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