Structure Database (LMSD)
Common Name
LTE4
Systematic Name
5S-hydroxy-6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
- Leukotriene E4
3D model of LTE4
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)
OTZRAYGBFWZKMX-FRFVZSDQSA-N
InChi (Click to copy)
InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
SMILES (Click to copy)
C(O)(=O)[C@@H](N)CS[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
Homo sapiens
(#9606)
Mammalia
(#40674)
Identification of the C(6)-S-conjugate of leukotriene A with cysteine as a naturally occurring slow reacting substance of anaphylaxis (SRS-A). Importance of the 11-cis-geometry for biological activity.,
Biochem Biophys Res Commun, 1980
Biochem Biophys Res Commun, 1980
Pubmed ID:
6254506
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR3401
PubChem CID
SwissLipids ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
464.08
Topological Polar Surface Area
120.85
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
5.46
Molar Refractivity
126.70
Reactions
Filter by species:
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Admin
Created at
-
Updated at
14th May 2021