Structure Database (LMSD)

Common Name
22:4(7Z,13Z,16Z,19Z)
Systematic Name
7Z,13Z,16Z,19Z-docosatetraenoic acid
Synonyms
  • C22:4n-3,6,9,15
LM ID
LMFA04000063
Formula
C22H36O2
Exact Mass
Calculate m/z
332.27153
Sum Composition
FA 22:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Other Docosanoids [FA0400]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ifremeria nautilei (#71812)
Gastropoda (#6448)
Characteristics of the fatty acid composition of a deep-sea vent gastropod, Ifremeria nautilei.,
Lipids, 2010
Pubmed ID: 20549377

String Representations

InChiKey (Click to copy)
UOFNKTZBIIBWQR-OUJQXAOTSA-N
InChi (Click to copy)
InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,16-15-
SMILES (Click to copy)
C(CCCCC/C=C\CCCC/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

CHEBI ID
186616
PubChem CID
52922003

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 393.54
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.00
Molar Refractivity 105.27

Admin

Created at
-
Updated at
-