Structure Database (LMSD)

Common Name
5Z,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
LM ID
LMFA03000021
Formula
C20H28O2
Exact Mass
Calculate m/z
300.20893
Sum Composition
FA 20:6
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Other Eicosanoids [FA0300]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anadyomene stellata (#204408)
Ulvophyceae (#33103)
Structure and biosynthesis of novel conjugated polyene fatty acids from the marine green alga Anadyomene stellata.,
Lipids, 1995
Pubmed ID: 7564911

String Representations

InChiKey (Click to copy)
WNCVJOFMGDZIRT-UCDJHDFISA-N
InChi (Click to copy)
InChI=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-
SMILES (Click to copy)
C(=C/C/C=C\C=C\C=C\C=C/C/C=C\CC)/CCCC(=O)O

Other Databases

PubChem CID
171119095

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 353.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.77
Molar Refractivity 95.85

Admin

Created at
25th Jun 2019
Updated at
25th Jun 2019