Structure Database (LMSD)

O OH
Common Name
22:4(4Z,7Z,10Z,13E)
Systematic Name
4Z,7Z,10Z,13E-docosatetraenoic acid
Synonyms
LM ID
LMFA04000066
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)
WSCPRLMTEVITJR-DEYSSILGSA-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/h9-10,12-13,15-16,18-19H,2-8,11,14,17,20-21H2,1H3,(H,23,24)/b10-9+,13-12-,16-15-,19-18-
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C/CCCCCCCC)(=O)O

References

Reference
Occurrence of the cis-4,7,10, trans-13-22:4 Fatty Acid
in the Family Pectinidae (Mollusca: Bivalvia)
Edouard Kraffe, Jacques Grall, Elena Palacios, Citlali Guerra and Philippe Soudant, et al.
Lipids (2010) 45:437-44

Other Databases

PubChem CID
21775584

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

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Created at
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Updated at
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