Structure Database (LMSD)
Common Name
20-Trihydroxy-leukotriene-B4
Systematic Name
(5R,6Z,8E,10E,12S,14Z)-5,12,20,20,20-pentahydroxyicosa-6,8,10,14-tetraenoic acid
Synonyms
LM ID
LMFA03020066
Formula
Exact Mass
Calculate m/z
384.214805
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 20-Trihydroxy-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)
UZWWTCBNUQJEPB-WLMOLUCVSA-N
InChi (Click to copy)
InChI=1S/C20H32O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6-8,12-13,17-18,21-22,25-27H,1,5,9-11,14-16H2,(H,23,24)/b4-3+,6-2-,12-7+,13-8-/t17-,18-/m0/s1
SMILES (Click to copy)
O[C@@H](/C=C\C=C\C=C\[C@H](C/C=C\CCCCC(O)(O)O)O)CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
402.89
Topological Polar Surface Area
138.45
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
7
logP
2.63
Molar Refractivity
104.07
Admin
Created at
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Updated at
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