Structure Database (LMSD)

O OH
Common Name
5Z,11Z,17Z-docosatrienoic acid
Systematic Name
5Z,11Z,17Z-docosatrienoic acid
Synonyms
  • C22:3n-5,11,17
LM ID
LMFA01030410
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
WFZRFURXWIWUMA-CTUPJDJCSA-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/h5-6,11-12,17-18H,2-4,7-10,13-16,19-21H2,1H3,(H,23,24)/b6-5-,12-11-,18-17-
SMILES (Click to copy)
C(CCC/C=C\CCCC/C=C\CCCC/C=C\CCCC)(=O)O

References

Other Databases

LIPIDAT ID
3224
PubChem CID
5312559

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 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.22
Molar Refractivity 105.37

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022