Structure Database (LMSD)
Common Name
(+/-)8,9-EpETrE
Systematic Name
8,9-epoxy-5Z,11Z,14Z-eicosatrienoic acid
Synonyms
- 8,9-EET
3D model of (+/-)8,9-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)
DBWQSCSXHFNTMO-TYAUOURKSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-
SMILES (Click to copy)
C(C1OC1C/C=C\CCCC(=O)O)/C=C\C/C=C\CCCCC
References
Other Databases
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA8111
PubChem CID
SwissLipids ID
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
Admin
Created at
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Updated at
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