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Palmitoyldocosahexaenoyl Phosphatidylcholine

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For Research Use Only | Not For Clinical Use
CATAPS59403542
CAS59403-54-2
Structure
SynonymsPalmitoyldocosahexaenoylphosphatidylcholine,3,5,8-Trioxa-4-phosphatriaconta-12,15,18,21,24,27-hexaen-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide, (7R,12Z,15Z,18Z,21Z,24Z,27Z)-, 3,5,8-Trioxa-4-phosphatriaconta-12,15,18,21,24,27-hexaen-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide, [R-(all-Z)]-, 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine, 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine
IUPAC Name[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight806.10
Molecular FormulaC46H80NO8P
Canonical SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
InChIInChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
Accurate Mass805.5622
FormatNeat
SubcategoryEnzyme inhibitors
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