Structure Database (LMSD)

Common Name
20-HETE-EA
Systematic Name
N-(20-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
Synonyms
  • 20-HETE-ethanolamine
LM ID
LMFA08040039
Status
Active
Exact Mass
Calculate m/z
363.277344
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)
QRMZDMUHHZLRMH-DTLRTWKJSA-N
InChi (Click to copy)
InChI=1S/C22H37NO3/c24-20-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22(26)23-19-21-25/h1,3-4,6-7,9-10,12,24-25H,2,5,8,11,13-21H2,(H,23,26)/b3-1-,6-4-,9-7-,12-10-
SMILES (Click to copy)
C(NCCO)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 413.33
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 5.07
Molar Refractivity 111.38

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Created at
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Updated at
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