Structure Database (LMSD)

Common Name
7,10,13,16-docosatetraenoic acid
Systematic Name
7E,10E,13E,16E-docosatetraenoic acid
Synonyms
  • C22:4n-6,9,12,15
LM ID
LMFA04000050
Formula
C22H36O2
Exact Mass
Calculate m/z
332.27153
Sum Composition
FA 22:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
TWSWSIQAPQLDBP-CGRWFSSPSA-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/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/b7-6+,10-9+,13-12+,16-15+
SMILES (Click to copy)
C(=O)(O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC

References

Other Databases

PubChem CID
5282844

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
23rd Feb 2024