Structure Database (LMSD)
Common Name
12-oxo-ETE
Systematic Name
12-oxo-5Z,8Z,10E,14Z-eicosatetraenoic acid
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GURBRQGDZZKITB-VXBMJZGYSA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
SMILES (Click to copy)
C(/C/C=C\CCCC(=O)O)=C/C=C/C(=O)C/C=C\CCCCC
References
Other Databases
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA8157
PubChem CID
SwissLipids ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
365.09
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.40
Molar Refractivity
96.43
Admin
Created at
-
Updated at
-