LIPID MAPS

Structure Database (LMSD)

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Common Name

17(18)-Epoxy-11Z,14Z-Eicosadienoic acid

Systematic Name

17,18-Epoxy-11Z,14Z-Eicosadienoic acid

Synonyms

17,18-Epoxy-Z,Z-11,14-Eicosadienoic acid
(11Z,14Z)-16-(3-Ethyl-2-oxiranyl)-11,14-hexadecadienoic acid
17,18-Epoxy-Eicosa-11c,14c-dienoic acid

LM ID

LMFA01070029

Formula

C₂₀H₃₄O₃

Exact Mass

Calculate m/z

322.250795

Sum Composition

FA 20:3;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

String Representations

InChiKey (Click to copy)

WKQIFAMQDFHXAL-HWXFIQLYSA-N

InChi (Click to copy)

InChI=1S/C20H34O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h6,8,12,14,18-19H,2-5,7,9-11,13,15-17H2,1H3,(H,21,22)/b8-6-,14-12-

SMILES (Click to copy)

C(CCCCCCCCC/C=C\C/C=C\CC1OC1CC)(=O)O

Other Databases

PubChem CID

131839787

PlantFA ID

10541

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 1

Aromatic Rings 0

Rotatable Bonds 15

Van der Waals Molecular Volume 360.65

Topological Polar Surface Area 49.83

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 6.22

Molar Refractivity 96.68

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