LIPID MAPS

Structure Database (LMSD)

Common Name

5S,6R-EpETrE

Systematic Name

5S,6R-epoxy-8Z,11Z,14Z-eicosatrienoic acid

Synonyms

5S,6R-EET

LM ID

LMFA03080017

Status

Active

Exact Mass

Calculate m/z

320.235145

Formula

C₂₀H₃₂O₃

Abbrev

FA 20:4;O

Show lipids differing only in stereochemistry/bond geometry

Download as...

MDLMOL SDF CSV TSV

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)

VBQNSZQZRAGRIX-GSKBNKFLSA-N

InChi (Click to copy)

InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-/t18-,19+/m1/s1

SMILES (Click to copy)

C(/C=C\C[C@H]1O[C@H]1CCCC(=O)O)/C=C\C/C=C\CCCCC

References

Other Databases

CHEBI ID

165260

PubChem CID

40490652

Cayman ID

50211

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 1

Aromatic Rings 0

Rotatable Bonds 14

Van der Waals Molecular Volume 358.01

Topological Polar Surface Area 49.83

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 6.00

Molar Refractivity 96.58

Admin

Created at

Updated at