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
C20H32O7
Exact Mass
Calculate m/z
384.214805
Sum Composition
FA 20:4;O5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Leukotrienes [FA0302]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

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

HMDB ID
HMDB0012643
PubChem CID
53481513

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
-
Updated at
-