LIPID MAPS

Structure Database (LMSD)

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Common Name

18-HOTE

Systematic Name

18-hydroxy-6Z,9Z,12Z,15Z-octadecatetraenoic acid

Synonyms

18-hydroxystearidonic acid

LM ID

LMFA02000479

Formula

C₁₈H₂₈O₃

Exact Mass

Calculate m/z

292.203846

Sum Composition

FA 18:4;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)

DFGDZELNUOOQLH-VINJGZITSA-N

InChi (Click to copy)

InChI=1S/C18H28O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5-8,11,13,19H,3-4,9-10,12,14-17H2,(H,20,21)/b2-1-,7-5-,8-6-,13-11-

SMILES (Click to copy)

C(CCCC/C=C\C/C=C\C/C=C\C/C=C\CCO)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 21

Rings

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 333.13

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 4.69

Molar Refractivity 88.71

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Created at

9th Jan 2025

Updated at