Structure Database (LMSD)

Common Name
16,17-epoxy-DHA
Systematic Name
16,17-epoxy-4Z,7Z,10Z,12E,14E,19Z-docosahexaenoic acid
Synonyms
LM ID
LMFA04000014
Status
Active
Exact Mass
Calculate m/z
342.219495
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)
XLYRHVKBJYDBOS-HXSPUPMESA-N
InChi (Click to copy)
InChI=1S/C22H30O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,10-15,18,20-21H,2,4,9,16-17,19H2,1H3,(H,23,24)/b7-5-,8-6-,12-10+,13-11-,14-3-,18-15+
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C=C\C=C\C1OC1C/C=C\CC)(=O)O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 384.69
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.11
Molar Refractivity 105.54

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Created at
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Updated at
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