XHN96818

Name: XHN96818
CAS#: 99296-81-8
Chemical Formula: C52H80NO8P
Exact Mass: 877.5622
Molecular Weight: 878.1848
Elemental Analysis: C, 71.12; H, 9.18; N, 1.59; O, 14.57; P, 3.53

Description: XHN96818 is a phospholipid that contains docosahexaenoic acid at the sn-1 and sn-2 positions. It has been used in the formation of polyunsaturated endoplasmic reticulum-targeting liposomes (PERLs) that reduce cellular cholesterol levels in human peripheral blood mononuclear cells (PBMCs) and decrease the secretion of HIV-1 particles in PBMCs infected with HIV-1LAI. It has been used as a component of lipid monolayers and small unilamellar vesicles to study the effect of phospholipid composition on membrane fluidity. 

IUPAC/Chemical Name: (R)-2-(((4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl)oxy)-3-(((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl)oxy)propyl (2-(trimethylammonio)ethyl) phosphate

InChi Key: XLKQWAMTMYIQMG-HLYPVUJLSA-N

InChi Code: InChI=1S/C52H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,38-41,50H,6-7,12-13,18-19,24-25,30-31,36-37,42-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39+/t50-/m1/s1

SMILES Code: O=P([O-])(OC[C@@H](COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)OC(CC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)OCC[N+](C)(C)C

Appearance: Solid powder