Structure Database (LMSD)

Common Name
Anandamide (18:3, n-6)
Systematic Name
N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine
Synonyms
  • N-cis-6,9,12-octadecatrienoylethanolamine
LM ID
LMFA08040003
Status
Active
Exact Mass
Calculate m/z
321.266779
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)
KRDUNUMTOBLEPM-QNEBEIHSSA-N
InChi (Click to copy)
InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,12-13,22H,2-5,8,11,14-19H2,1H3,(H,21,23)/b7-6-,10-9-,13-12-
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCC)=C/CCCCC(=O)NCCO

References

Other Databases

LIPIDBANK ID
PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 372.58
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.25
Molar Refractivity 100.34

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Created at
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Updated at
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