Structure Database (LMSD)
Common Name
12-keto-10,11,14,15-tetrahydro-LTB4
Systematic Name
5S-hydroxy-12-keto-6Z,8E-eicosadienoic acid
Synonyms
- 12-keto-10,11,14,15-tetrahydro-Leukotriene B4
LM ID
LMFA03020004
Formula
Exact Mass
Calculate m/z
338.24571
Sum Composition
Status
Active
3D model of 12-keto-10,11,14,15-tetrahydro-LTB4
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
RRTYEHFGQWNQKK-KIQAWMAPSA-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/h7-8,11,15,19,22H,2-6,9-10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,15-11-/t19-/m1/s1
SMILES (Click to copy)
C(C(=O)CC/C=C/C=C\[C@@H](O)CCCC(O)=O)CCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
379.16
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.10
Molar Refractivity
98.52
Admin
Created at
-
Updated at
14th Oct 2024