Structure Database (LMSD)

Systematic Name
14-hydroxy-4Z,7Z,10Z,12E,16Z-docosapentaenoic acid
Synonyms
LM ID
LMFA04000125
Formula
C22H34O3
Exact Mass
Calculate m/z
346.250796
Sum Composition
FA 22:5;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 4,7,10,13,16-docosapentaenoic acid by human platelet cyclooxygenase and lipoxygenase.,
Biochim Biophys Acta, 1985
Pubmed ID: 3924108

String Representations

InChiKey (Click to copy)
QLXUWTYTRCCZFU-OTAJNUQNSA-N
InChi (Click to copy)
InChI=1S/C22H34O3/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/h6-7,10-16,19,21,23H,2-5,8-9,17-18,20H2,1H3,(H,24,25)/b7-6-,13-10-,14-11-,15-12-,19-16+
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C=C\C(O)C/C=C\CCCCC)(=O)O

Other Databases

PubChem CID
11717197

Calculated Physicochemical Properties

Heavy Atoms 25
Rings
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 399.69
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.03
Molar Refractivity 107.08

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