LIPID MAPS

Structure Database (LMSD)

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Common Name

8(9)-EpETE

Systematic Name

(+/-)-8(9)-epoxy-5Z,11Z,14Z,17Z-eicosatetraenoic acid

Synonyms

LM ID

LMFA03000001

Formula

C₂₀H₃₀O₃

Exact Mass

Calculate m/z

318.219495

Sum Composition

FA 20:5;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

YKIOHMXLFWMWKD-JJUYGIQRSA-N

InChi (Click to copy)

InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/b4-3-,7-6-,12-9-,13-10-

SMILES (Click to copy)

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

References

Other Databases

CHEBI ID

137193

PubChem CID

16061086

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 1

Aromatic Rings 0

Rotatable Bonds 13

Van der Waals Molecular Volume 355.37

Topological Polar Surface Area 49.83

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 5.78

Molar Refractivity 96.49

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