Structure database (LMSD)

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LM IDLMFA03000021
Common Name5Z,8Z,10E,12E,14Z,17Z-eicosahexaenoic acid
Systematic Name(5Z,8Z,10E,12E,14Z,17Z)-eicosa-5,8,10,12,14,17-hexaenoic acid
Synonyms-
Exact Mass
300.2089 (neutral)    Calculate m/z:
FormulaC20H28O2
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassOther Eicosanoids [FA0300]
PubChem CID-
InChIKeyWNCVJOFMGDZIRT-UCDJHDFISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4
,6-13,15-16H,2,5,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,9-8+,11-10+,13-12-,16-15-
SMILESC(=C/C/C=C\C=C\C=C\C=C/C/C=C\CC)/CCCC(=O)O
StatusActive
ReferencesStructure and biosynthesis of novel conjugated polyene fatty acids from the marine green alga Anadyomene stellata. Marina V. Mikhailova, Debra L. Bemis, Mitchell L. Wise, William H. Gerwick, James N. Norris and Robert S. Jacobs.Lipids. Volume 30, Issue 7, 1995, pp 583–589.

https://link.springer.com/article/10.1007/BF02536993
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
353.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.77Molar
Refractivity
95.85