LIPID MAPS

Structure Database (LMSD)

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Common Name

alpha-12(13)-EpODE

Systematic Name

12(13)-epoxy-9Z,15Z-octadecadienoic acid

Synonyms

LM ID

LMFA02000040

Formula

C₁₈H₃₀O₃

Exact Mass

Calculate m/z

294.219495

Sum Composition

FA 18:3;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

BKKGUKSHPCTUGE-OOHFSOINSA-N

InChi (Click to copy)

InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8-

SMILES (Click to copy)

C(CCCCCCC/C=C\CC1OC1C/C=C\CC)(=O)O

References

Other Databases

HMDB ID

HMDB0010200

CHEBI ID

88462

PubChem CID

16061061

PlantFA ID

10516

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 1

Aromatic Rings 0

Rotatable Bonds 13

Van der Waals Molecular Volume 326.05

Topological Polar Surface Area 49.83

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 5.44

Molar Refractivity 87.44

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