Structure Database (LMSD)
Common Name
17R,18S-EpETE
Systematic Name
17R,18S-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
- (5Z,8Z,11Z,14Z)-(17R,18S)-17,18-Epoxyicosa-5,8,11,14-tetraenoic acid
3D model of 17R,18S-EpETE
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)
GPQVVJQEBXAKBJ-VDTDYMMTSA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-/t18-,19+/m0/s1
SMILES (Click to copy)
C(=C/C/C=C\C/C=C\C/C=C\CCCC(=O)O)/C[C@H]1O[C@H]1CC
References
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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