Structure Database (LMSD)
Common Name
Leukotriene B3
Systematic Name
5S,12R-dihydroxy-6Z,8E,10E-eicosatrienoic acid
Synonyms
- LTB3
LM ID
LMFA03020087
Formula
Exact Mass
Calculate m/z
338.24571
Sum Composition
Status
Active
3D model of Leukotriene B3
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rattus norvegicus
(#10116)
Mammalia
(#40674)
Characterization of leukotriene B3: comparison of its biological activities with leukotriene B4 and leukotriene B5 in complement receptor enhancement, lysozyme release and chemotaxis of human neutrophils.,
Clin Sci (Lond), 1988
Clin Sci (Lond), 1988
Pubmed ID:
2836122
String Representations
InChiKey (Click to copy)
NGTXCORNXNELNU-CHHAPGPYSA-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/h7-8,10-11,14-15,18-19,21-22H,2-6,9,12-13,16-17H2,1H3,(H,23,24)/b8-7+,14-10+,15-11-/t18-,19-/m1/s1
SMILES (Click to copy)
C(CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)CCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
379.16
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.96
Molar Refractivity
99.94
Admin
Created at
14th Nov 2024
Updated at
14th Nov 2024