Structure Database (LMSD)

Common Name
4,7,10,13-docosatetraenoic acid
Systematic Name
4,7,10,13-docosatetraenoic acid
Synonyms
  • C22:4n-9,12,15,18
LM ID
LMFA01030177
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 are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
WSCPRLMTEVITJR-WFYBHXQRSA-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(=C/C/C=C/CCCCCCCC)\C/C=C/C/C=C/CCC(=O)O

Other Databases

CHEBI ID
165467
LIPIDBANK ID
DFA0216
PubChem CID
5282843

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
-
Updated at
25th Apr 2022