Structure Database (LMSD)
Common Name
10,11-dihydro-leukotriene B4
Systematic Name
(5R,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid
Synonyms
LM ID
LMFA03020045
Formula
Exact Mass
Calculate m/z
338.24571
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 10,11-dihydro-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)
NKUPFHTVILUPKF-RNEQFKNCSA-N
InChi (Click to copy)
InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,18-19,21-22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,15-11-/t18-,19-/m0/s1
SMILES (Click to copy)
CCCCC/C=C\C[C@@H](CC/C=C/C=C\[C@@H](CCCC(=O)O)O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
379.16
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.96
Molar Refractivity
99.94
Admin
Created at
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Updated at
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