Structure Database (LMSD)
Common Name
20-carboxy-LTB4
Systematic Name
5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraene-1,20-dioic acid
Synonyms
- 20-carboxy-Leukotriene B4
LM ID
LMFA03020016
Formula
Exact Mass
Calculate m/z
366.20424
Sum Composition
Status
Active
3D model of 20-carboxy-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)
SXWGPVJGNOLNHT-VFLUTPEKSA-N
InChi (Click to copy)
InChI=1S/C20H30O6/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/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
SMILES (Click to copy)
C([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O)/C=C\CCCCC(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Stimulation of human leukocyte degranulation by leukotriene B4 and its omega-oxidized metabolites.,
FEBS Lett, 1981
FEBS Lett, 1981
Pubmed ID:
6274698
Other Databases
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR3118
PubChem CID
SwissLipids ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
391.46
Topological Polar Surface Area
115.06
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
3.80
Molar Refractivity
101.81
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Updated at
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