Structure Database (LMSD)
Common Name
12-oxo-ETE
Systematic Name
12-oxo-5Z,8Z,10E,14Z-eicosatetraenoic acid
Synonyms
3D model of 12-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)
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
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Conversion of arachidonic acid into 12-oxo derivatives in human platelets. A pathway possibly involving the heme-catalysed transformation of 12-hydroperoxy-eicosatetraenoic acid.,
Prostaglandins, 1987
Prostaglandins, 1987
Pubmed ID:
3107082
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
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Updated at
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