Structure Database (LMSD)

Common Name
N-(17-methyl-5Z,8Z,11Z,14Z-docosatetraenoyl)-ethanolamine
Systematic Name
N-(17-methyl-5Z,8Z,11Z,14Z-docosatetraenoyl)-ethanolamine
Synonyms
  • 17-methyl-5,8,11,14-all-cis-docosatetraenoylethanolamine
LM ID
LMFA08040027
Status
Active
Exact Mass
Calculate m/z
389.329379
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)
JBTMRPVMELNRLS-WGTJKWGZSA-N
InChi (Click to copy)
InChI=1S/C25H43NO2/c1-3-4-16-19-24(2)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-25(28)26-22-23-27/h5,7-8,10-11,13-14,17,24,27H,3-4,6,9,12,15-16,18-23H2,1-2H3,(H,26,28)/b7-5-,10-8-,13-11-,17-14-
SMILES (Click to copy)
C(/C/C=C\C/C=C\CC(C)CCCCC)=C/C/C=C\CCCC(=O)NCCO

References

Other Databases

LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 456.44
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.84
Molar Refractivity 123.26

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Created at
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Updated at
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