Structure Database (LMSD)

O OH
Common Name
3E,13Z,16Z-Docosatrienoic acid
Systematic Name
3E,13Z,16Z-Docosatrienoic acid
Synonyms
  • E,Z,Z-3,13,16-Docosatrienoic acid
LM ID
LMFA04000086
Formula
C22H38O2
Exact Mass
Calculate m/z
334.28718
Sum Composition
FA 22:3
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)
DFTHKRVORRRKAX-INEHZMELSA-N
InChi (Click to copy)
InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,19-20H,2-5,8,11-18,21H2,1H3,(H,23,24)/b7-6-,10-9-,20-19+
SMILES (Click to copy)
C(C/C=C/CCCCCCCC/C=C\C/C=C\CCCCC)(=O)O

References

Other Databases

PubChem CID
131840332
PlantFA ID
10418

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 396.18
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.22
Molar Refractivity 105.37

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Created at
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Updated at
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