Structure Database (LMSD)
Common Name
10,11-dihydro-20-dihydroxy-LTB4
Systematic Name
(5R,6Z,8E,12R,14Z)-5,12,20,20-tetrahydroxyicosa-6,8,14-trienoic acid
Synonyms
LM ID
LMFA03020043
Formula
Exact Mass
Calculate m/z
370.23554
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 10,11-dihydro-20-dihydroxy-LTB4
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)
BZDHSIPNZCHPKA-NSBXBVANSA-N
InChi (Click to copy)
InChI=1S/C20H34O6/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/h2,4-6,8,13,17-19,21-24H,1,3,7,9-12,14-16H2,(H,25,26)/b5-4+,6-2-,13-8-/t17-,18-/m0/s1
SMILES (Click to copy)
OC(CCCC/C=C\C[C@@H](CC/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
16
Van der Waals Molecular Volume
396.74
Topological Polar Surface Area
118.22
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
6
logP
3.53
Molar Refractivity
103.00
Admin
Created at
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Updated at
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