Structure Database (LMSD)

Common Name
Leukotriene E4
Systematic Name
(5S,6R,7E,9E,11Z,14Z)-6-[(2-amino-2-carboxyethyl)sulfanyl]-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Synonyms
LM ID
LMFA03020075
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-MPWKMEBCSA-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)
S(CC(C(=O)O)N)[C@H](/C=C/C=C/C=C\C/C=C\CCCCC)[C@H](CCCC(=O)O)O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman 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 5
logP 5.46
Molar Refractivity 126.70

Admin

Created at
-
Updated at
-