Structure Database (LMSD)

Common Name
14,15-DiHETrE-EA
Systematic Name
N-((+/-)-14,15-dihydroxy-5Z,8Z,11Z-eicosatrienoyl)-ethanolamine
Synonyms
LM ID
LMFA08040031
Status
Active
Exact Mass
Calculate m/z
381.287909
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)
ZHCWBIFELSAWPF-ILYOTBPNSA-N
InChi (Click to copy)
InChI=1S/C22H39NO4/c1-2-3-12-15-20(25)21(26)16-13-10-8-6-4-5-7-9-11-14-17-22(27)23-18-19-24/h4,6-7,9-10,13,20-21,24-26H,2-3,5,8,11-12,14-19H2,1H3,(H,23,27)/b6-4-,9-7-,13-10-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\CC(O)C(O)CCCCC)(=O)NCCO

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 424.76
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 4.55
Molar Refractivity 113.38

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Created at
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Updated at
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