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
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
Main
Classification
Category
Main Class
Sub Class
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
References
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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