LIPID MAPS

Structure Database (LMSD)

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Common Name

gamma- 6(7)-EpODE

Systematic Name

6(7)-epoxy-9Z,12Z-octadecadienoic acid

Synonyms

LM ID

LMFA02000042

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

Classification

String Representations

InChiKey (Click to copy)

OZPPQSOXVISEGQ-HZJYTTRNSA-N

InChi (Click to copy)

InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-17(21-16)14-11-12-15-18(19)20/h6-7,9-10,16-17H,2-5,8,11-15H2,1H3,(H,19,20)/b7-6-,10-9-

SMILES (Click to copy)

C(CCCCC1OC1C/C=C\C/C=C\CCCCC)(=O)O

Other Databases

CHEBI ID

165765

PubChem CID

16061063

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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