L-α-Phosphatidylinositol-4,5-bisphosphate (brain, porcine) (ammonium salt)

Catalog Number	ACM383907424
CAS	383907-42-4
Synonyms	Brain PI(4,5)P2
IUPAC Name	Triazanium;[(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
Molecular Weight	1098.2
Molecular Formula	C47H94N3O19P3
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=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+]
InChI	InChI=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 Key	GAIOWTITBYPFJE-JVILRMJCSA-N
Purity	99%+
Complexity	1620
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	3
Exact Mass	1097.56943877
Heavy Atom Count	72
Hydrogen Bond Acceptor Count	19
Hydrogen Bond Donor Count	8
Isomeric SMILES	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)OP(=O)(O)[O-])OP(=O)(O)[O-])O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.[NH4+].[NH4+].[NH4+]
Monoisotopic Mass	1097.56943877
Physical State	Powder
Rotatable Bond Count	44
Storage Conditions	-20 °C
Topological Polar Surface Area	314 Ų

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L-α-Phosphatidylinositol-4,5-bisphosphate (brain, porcine) (ammonium salt) (383907-42-4)

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