Structure Database (LMSD)

Common Name
5Z,13Z,16Z,19Z-Docosatetraenoic acid
Systematic Name
5Z,13Z,16Z,19Z-Docosatetraenoic acid
Synonyms
  • Z,Z,Z,Z-5,13,16,19-Docosatetraenoic acid
  • Z,Z,Z,Z-5,13,16,19-Docosatetraenoic acid
  • Docosa-5c,13c,16c,19c-tetraenoic acid
  • 5c,13c,16c,19c-Docosatetraenoic acid
LM ID
LMFA04000087
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]

String Representations

InChiKey (Click to copy)
GESHZLPHPMXQLQ-UBUOEUCZSA-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/h3-4,6-7,9-10,17-18H,2,5,8,11-16,19-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,18-17-
SMILES (Click to copy)
C(CCC/C=C\CCCCCC/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

CHEBI ID
186667
PubChem CID
131840333
PlantFA ID
10162

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 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7
Molar Refractivity 105.27

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Updated at
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