LIPID MAPS

Structure Database (LMSD)

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Common Name

9,10-EpODE

Systematic Name

9S,10-epoxy-10,12Z-octadecadienoic acid

Synonyms

LM ID

LMFA02000015

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)

LVVCDOSOKGYQFY-KKJXIILJSA-N

InChi (Click to copy)

InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,13,17H,2-6,8-9,11-12,14-15H2,1H3,(H,19,20)/b10-7-,16-13-/t17-/m0/s1

SMILES (Click to copy)

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

References

Other Databases

PubChem CID

16061051

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 5.51

Molar Refractivity 86.70

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