18:0-20:4 PI(4,5)P2 (ammonium salt)

Catalog NumberBL-M000751
CAS Number799268-59-0
Description18:0-20:4 PI(4,5)P2 (ammonium salt) is a phosphoinositide employed in the field of biomedicine for the purpose of manipulating cellular signaling cascades and managing a range of conditions including cancer and diabetes.
IUPAC Nametriazanium;[(2S,4R)-2,3,5-trihydroxy-6-[hydroxy(oxido)phosphoryl]oxy-4-[[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropoxy]-oxidophosphoryl]oxycyclohexyl] hydrogen phosphate
Synonyms1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-myo-inositol-4',5'-bisphosphate) (ammonium salt); 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-[phosphoinositol-4,5-bisphosphate] (ammonium salt); PIP2[4',5'](18:0/20:4(5Z,8Z,11Z,14Z)) (ammonium salt)
Molecular Weight1098.18
Molecular FormulaC47H94N3O19P3
Purity>99%
AppearancePowder
Shelf Life3 Months
StorageStore at -20°C
Percent CompositionC 51.40%, H 8.63%, N 3.83%, O 27.68%, P 8.46%
Canonical SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)OP(=O)(O)[O-])OP(=O)(O)[O-])O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC.[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C47H85O19P3.3H3N/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58;;;/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58);3*1H3/b13-11-,19-17-,24-22-,30-28-;;;/t39-,42?,43+,44?,45-,46?,47?;;;/m1.../s1
InChI KeyGAIOWTITBYPFJE-JVILRMJCSA-N

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