Structure Database (LMSD)
Common Name
12-Oxo-20-hydroxy-leukotriene B4
Systematic Name
(5R,6Z,8E,10E,14Z)-5,20-dihydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
Synonyms
LM ID
LMFA03020049
Formula
Exact Mass
Calculate m/z
350.209325
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 12-Oxo-20-hydroxy-leukotriene B4
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)
CZWPUWRHQBAXJS-PABROBRYSA-N
InChi (Click to copy)
InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,19,21,23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t19-/m0/s1
SMILES (Click to copy)
OCCCCC/C=C\CC(/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
382.67
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
3.91
Molar Refractivity
100.23
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Created at
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Updated at
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