Structure Database (LMSD)

Common Name
Anandamide (22:6, n-3)
Systematic Name
N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine
Synonyms
  • N-cis-4,7,10,13,16,19-docosahexanoylethanolamine
  • Synaptamide
LM ID
LMFA08040009
Status
Active
Exact Mass
Calculate m/z
371.282429
Formula
C24H37NO2
Abbrev
NAE 22:6
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl ethanolamines (endocannabinoids) [FA0804]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
GEEHOLRSGZPBSM-KUBAVDMBSA-N
InChi (Click to copy)
InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25,27)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
C(/C/C=C\C/C=C\C/C=C\C/C=C\CC)=C/C/C=C\CCC(=O)NCCO

References

Other Databases

HMDB ID
HMDB0013658
CHEBI ID
85252
LIPIDBANK ID
XPR7009
PubChem CID
5283451
SwissLipids ID
SLM:000390118
Cayman ID
10007534

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 433.86
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.14
Molar Refractivity 118.53

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Updated at
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