LIPID MAPS

Structure Database (LMSD)

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Common Name

9-HOPE

Systematic Name

9-hydroxy-3Z,6Z,10E,12Z,15Z-octadecapentaenoic acid

Synonyms

LM ID

LMFA02000481

Formula

C₁₈H₂₆O₃

Exact Mass

Calculate m/z

290.188195

Sum Composition

FA 18:5;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)

NUQJPUFCNBWFDN-CSJNWEMSSA-N

InChi (Click to copy)

InChI=1S/C18H26O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8-14,17,19H,2,5,7,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,12-9-,13-10-,14-11+

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 21

Rings

Aromatic Rings

Rotatable Bonds 11

Van der Waals Molecular Volume 330.49

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 4.47

Molar Refractivity 88.61

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Created at

9th Jan 2025

Updated at