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
Main
Classification
Category
Main Class
Sub Class
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Metabolism of 5(S)-hydroxy-6,8,11,14-eicosatetraenoic acid and other 5(S)-hydroxyeicosanoids by a specific dehydrogenase in human polymorphonuclear leukocytes.,
J Biol Chem, 1992
J Biol Chem, 1992
Pubmed ID:
1326548
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