06:0 PI(3,4,5)P3 (ammonium salt)

Catalog NumberBL-M000768
CAS Number799268-62-5
DescriptionPtdIns-(3,4,5)-P3 (1,2-dihexanoyl) is a synthetic analog of natural PIP3 with C6:0 fatty acids at the sn-1 and sn-2 positions.
IUPAC Nametetraazanium;[(1S)-3-[[(2R)-2,3-di(hexanoyloxy)propoxy]-oxidophosphoryl]oxy-2,4-dihydroxy-5,6-bis[[hydroxy(oxido)phosphoryl]oxy]cyclohexyl] hydrogen phosphate
Synonyms1,2-dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt); PIP3[3',4',5'](6:0/6:0) (ammonium salt)
Molecular Weight838.56
Molecular FormulaC21H54N4O22P4
Purity>99%
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 30.08%, H 6.49%, N 6.68%, O 41.97%, P 14.77%
Canonical SMILESCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)OP(=O)(O)[O-])OP(=O)(O)[O-])OP(=O)(O)[O-])O)OC(=O)CCCCC.[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C21H42O22P4.4H3N/c1-3-5-7-9-14(22)37-11-13(39-15(23)10-8-6-4-2)12-38-47(35,36)43-18-16(24)19(40-44(26,27)28)21(42-46(32,33)34)20(17(18)25)41-45(29,30)31;;;;/h13,16-21,24-25H,3-12H2,1-2H3,(H,35,36)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);4*1H3/t13-,16?,17?,18?,19+,20?,21?;;;;/m1..../s1
InChI KeyYTZPLJSHLDNARZ-XECUOCTGSA-N

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