LIPID MAPS

Structure Database (LMSD)

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Common Name

17S-HDPE (DPA n3)

Systematic Name

17S-hydroxy-7Z,10Z,13Z,15E,19Z-docosapentaenoic acid

Synonyms

LM ID

LMFA04000121

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)

NMUOVKUBSAYGMV-DKMPAXASSA-N

InChi (Click to copy)

InChI=1S/C22H34O3/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/h3,5-8,11,13,15-16,19,21,23H,2,4,9-10,12,14,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,15-3-,19-16+/t21-/m0/s1

SMILES (Click to copy)

C(CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC)(=O)O

Other Databases

PubChem CID

72205372

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

Admin

Created at

31st Mar 2025

Updated at