Structure Database (LMSD)
Common Name
8(9)-EpETE
Systematic Name
(+/-)-8(9)-epoxy-5Z,11Z,14Z,17Z-eicosatetraenoic acid
Synonyms
3D model of 8(9)-EpETE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
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
Other Databases
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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Created at
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Updated at
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