Structure Database (LMSD)

Common Name
Erucicoyl-EA
Systematic Name
N-(13Z-docosanoyl)-ethanolamine
Synonyms
  • Erucicoyl-ethanolamine
LM ID
LMFA08040050
Status
Active
Exact Mass
Calculate m/z
381.360679
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)
UGYSMGXRWBTMRZ-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C24H47NO2/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/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
SMILES (Click to copy)
C(=C/CCCCCCCCCCCC(=O)NCCO)/CCCCCCCC

References

Other Databases

PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 447.06
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.26
Molar Refractivity 119.00

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Created at
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Updated at
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