Structure Database (LMSD)
Common Name
12-oxo-20-dihydroxy-leukotriene B4
Systematic Name
(5R,6Z,8E,10E,14Z)-5,20,20-trihydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
Synonyms
LM ID
LMFA03020048
Formula
Exact Mass
Calculate m/z
366.20424
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 12-oxo-20-dihydroxy-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)
SBSLZLBZGOASJL-NZXMSVEXSA-N
InChi (Click to copy)
InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,18-19,22-24H,1,3,9-11,14-16H2,(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t18-/m0/s1
SMILES (Click to copy)
OC(CCCC/C=C\CC(/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
391.46
Topological Polar Surface Area
115.06
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
3.23
Molar Refractivity
101.40
Admin
Created at
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Updated at
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