Structure Database (LMSD)

Common Name
Anandamide (18:4, n-3)
Systematic Name
N-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-ethanolamine
Synonyms
  • N-cis-6,9,12,15-Octadecatetraenoylethanolamine
LM ID
LMFA08040006
Status
Active
Exact Mass
Calculate m/z
319.251129
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)
BSEHZAIYCIVZNE-LTKCOYKYSA-N
InChi (Click to copy)
InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h3-4,6-7,9-10,12-13,22H,2,5,8,11,14-19H2,1H3,(H,21,23)/b4-3-,7-6-,10-9-,13-12-
SMILES (Click to copy)
C(/C/C=C\C/C=C\C/C=C\CC)=C/CCCCC(=O)NCCO

References

Other Databases

CHEBI ID
LIPIDBANK ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 369.94
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.03
Molar Refractivity 100.25

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Created at
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Updated at
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