Structure Database (LMSD)

Common Name
17-oxo-DPE (DPA n6)
Systematic Name
17-oxo-4Z,7Z,10Z,13Z,15E-docosapentaenoic acid
Synonyms
LM ID
LMFA04000119
Formula
C22H32O3
Exact Mass
Calculate m/z
344.235146
Sum Composition
FA 22:6;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]
Oxo fatty acids [FA0106]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Oxylipin standard

String Representations

InChiKey (Click to copy)
RTYLPIYBHGVBEX-XJLWXLEWSA-N
InChi (Click to copy)
InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h5-8,11-14,16,19H,2-4,9-10,15,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,19-16+
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(=O)CCCCC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 25
Rings
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 397.05
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.95
Molar Refractivity 105.57

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Created at
31st Mar 2025
Updated at
31st Mar 2025