Structure Database (LMSD)
Common Name
(+/-)14,15-EpETrE-d11
Systematic Name
14,15-epoxy-5Z,8Z,11Z-eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20-d11 acid
Synonyms
- (±)14,15-EET-d11
3D model of (+/-)14,15-EpETrE-d11
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Synthetic deuterated standard
String Representations
InChiKey (Click to copy)
JBSCUHKPLGKXKH-LNTVGFLJSA-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-/i1D3,2D2,3D2,12D2,15D2
SMILES (Click to copy)
C(/C=C\C/C=C\CCCC(=O)O)/C=C\CC1OC1C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Other Databases
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
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
Admin
Created at
20th Mar 2025
Updated at
20th Mar 2025