Structure Database (LMSD)
Common Name
14R,15S-EpETrE
Systematic Name
14R,15S-epoxy-5Z,8Z,11Z-eicosatrienoic acid
Synonyms
- 14,15-EET
3D model of 14R,15S-EpETrE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
JBSCUHKPLGKXKH-LLZJRKGESA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-/t18-,19+/m0/s1
SMILES (Click to copy)
C(O)(=O)CCC/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1CCCCC
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
358.01
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
6.00
Molar Refractivity
96.58
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Created at
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Updated at
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