Structure Database (LMSD)

Systematic Name
14-Hydroxy-7Z,10Z,12E,16Z-docosatetraenoic acid
Synonyms
LM ID
LMFA04000122
Formula
C22H36O3
Exact Mass
Calculate m/z
348.266446
Sum Composition
FA 22:4;O
Status
Curated
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]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Metabolism of 7,10,13,16-docosatetraenoic acid to dihomo-thromboxane, 14-hydroxy-7,10,12-nonadecatrienoic acid and hydroxy fatty acids by human platelets.,
Biochim Biophys Acta, 1985
Pubmed ID: 3918572

String Representations

InChiKey (Click to copy)
YPLMXPOVYWAOPY-KGNIYIQLSA-N
InChi (Click to copy)
InChI=1S/C22H36O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h6-7,10,12-13,15-16,19,21,23H,2-5,8-9,11,14,17-18,20H2,1H3,(H,24,25)/b7-6-,13-10-,15-12-,19-16+
SMILES (Click to copy)
C(CCCCC/C=C\C/C=C\C=C\C(O)C/C=C\CCCCC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 25
Rings
Aromatic Rings
Rotatable Bonds 16
Van der Waals Molecular Volume 402.33
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.25
Molar Refractivity 107.18

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Created at
11th Aug 2025
Updated at
11th Aug 2025