LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

6(Z),9(Z),12(Z)-18-HOTrE

Systematic Name

18-hydroxyoctadeca-6Z,9Z,12Z-trienoic acid

Synonyms

omega-hydroxy gamma linolenic acid

LM ID

LMFA02000422

Formula

C₁₈H₃₀O₃

Exact Mass

Calculate m/z

294.219495

Sum Composition

FA 18:3;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)

YIJMVXGFGSOQQT-UAOXYDSYSA-N

InChi (Click to copy)

InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5-8,19H,3-4,9-17H2,(H,20,21)/b2-1-,7-5-,8-6-

SMILES (Click to copy)

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

Other Databases

PubChem CID

89573125

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 0

Aromatic Rings 0

Rotatable Bonds 14

Van der Waals Molecular Volume 335.77

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 4.92

Molar Refractivity 88.80

Admin

Created at

26th Nov 2024

Updated at