Structure Database (LMSD)

Common Name
LTE4
Systematic Name
5S-hydroxy-6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
  • Leukotriene E4
LM ID
LMFA03020002
Status
Active
Exact Mass
Calculate m/z
439.239246
Formula




Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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
Pubmed ID: 20671299
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
Pubmed ID: 6254506

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
SwissLipids 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

Admin

Created at
-
Updated at
14th May 2021