Structure Database (LMSD)
Common Name
5-Oxo-ETE
Systematic Name
5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
3D model of 5-Oxo-ETE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
String Representations
InChiKey (Click to copy)
MEASLHGILYBXFO-XTDASVJISA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
SMILES (Click to copy)
C(O)(=O)CCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCCC
Other Databases
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA8156
PubChem CID
SwissLipids ID
Cayman ID
GuidePharm 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
2nd Mar 2022