Chemical structure of CAS 80115-95-3

N-Acetylleukotriene E4

CAS No.80115-95-3
MDL No.N/A
MFC25H39NO6S
MW481.60
InChI KeyBGGYAYMMFYBWEX-PJEAHERNSA-N

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Product Information

N-acetylleukotriene E4 is a leukotriene with the structure of (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a 5S-hydroxy group and a 6R-N-acetyl-L-cystein-S-yl group. It is a major biliary metabolite of cysteinyl leukotrienes, functions as a human urinary metabolite, and is related to leukotriene E4.

CAS No.80115-95-3
Product NameN-Acetylleukotriene E4
Heavy Atom Count33Rotatable Bond Count19
Atom Stereo Count3Bond Stereo Count4
HBA5HBD4
TPSA123.930 ŲCharge0
Exact Mass481.24981Complexity686.38
pKa2.195XLogP4.489