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
Main
Classification
Category
Main Class
Sub Class
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Sus scrofa
(#9823)
Mammalia
(#40674)
Enzymatic inactivation of leukotriene B4 by a novel enzyme found in the porcine kidney. Purification and properties of leukotriene B4 12-hydroxydehydrogenase.,
J Biol Chem, 1993
J Biol Chem, 1993
Pubmed ID:
8394361
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
21st Apr 2022