Structure Database (LMSD)
Common Name
9,10-EpODE
Systematic Name
9S,10-epoxy-10,12Z-octadecadienoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 9,10-EpODE
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)
LVVCDOSOKGYQFY-KKJXIILJSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,13,17H,2-6,8-9,11-12,14-15H2,1H3,(H,19,20)/b10-7-,16-13-/t17-/m0/s1
SMILES (Click to copy)
C(CCCCCCC[C@@H]1O/C/1=C\C=C/CCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
326.05
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.51
Molar Refractivity
86.70
Admin
Created at
-
Updated at
-