Structure Database (LMSD)

Common Name
5Z,8Z,11Z,14Z-docosatetraenoic acid
Systematic Name
5Z,8Z,11Z,14Z-docosatetraenoic acid
Synonyms
  • delta5,8,11,14-22:4
LM ID
LMFA01031173
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

Reactions

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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhabdammina (#159865)
New and Uncommon Fatty Acids in Lipids of Deep-Sea Foraminifera.,
Lipids, 2017
Pubmed ID: 28210982

String Representations

InChiKey (Click to copy)
UCPHFYXDPMIVSD-GKFVBPDJSA-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/h8-9,11-12,14-15,17-18H,2-7,10,13,16,19-21H2,1H3,(H,23,24)/b9-8-,12-11-,15-14-,18-17-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC)(=O)O

Other Databases

PubChem CID
10759012

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
22nd Oct 2019
Updated at
25th Apr 2022