LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3-Hydroxy-7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid

Synonyms

LM ID

LMFA04000118

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Oxylipin standard

String Representations

InChiKey (Click to copy)

TWIXFSBNYDGHKU-JLNKQSITSA-N

InChi (Click to copy)

InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25/h3-4,6-7,9-10,12-13,15-16,21,23H,2,5,8,11,14,17-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-

SMILES (Click to copy)

C(CC(O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O

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

31st Mar 2025

Updated at