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CAS 88542-99-8

:

myo-Inositol, 1-[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl hydrogen phosphate]

Description:
Myo-Inositol, 1-[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl hydrogen phosphate], identified by the CAS number 88542-99-8, is a complex phospholipid derivative. This compound features a myo-inositol backbone, which is a cyclic sugar alcohol known for its role in cellular signaling and as a precursor for phosphatidylinositol. The structure includes long-chain fatty acid moieties, specifically hexadecyl and octadecadienyl groups, which contribute to its amphiphilic nature, making it relevant in membrane biology and potential applications in drug delivery systems. The presence of phosphate groups indicates its involvement in energy transfer and signaling pathways within cells. Myo-inositol derivatives are often studied for their biological significance, including roles in insulin signaling, cell proliferation, and neuroprotection. This compound may also exhibit properties that are beneficial in various therapeutic contexts, including metabolic disorders and neurological conditions. Its unique structure and functional groups make it a subject of interest in both biochemical research and pharmaceutical development.
Formula:C43H79O13P
InChI:InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)
InChI key:InChIKey=BSNJSZUDOMPYIR-UHFFFAOYSA-N
SMILES:O(P(OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=CCC=CCCCCC)=O)(=O)O)C1C(O)C(O)C(O)C(O)C1O
Synonyms:
  • myo-Inositol, 1-[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl hydrogen phosphate]
  • Phosphatidylinositol choline 16:0/18:2
  • myo-Inositol, 1-[3-[(1-oxohexadecyl)oxy]-2-[(1-oxo-9,12-octadecadienyl)oxy]propyl hydrogen phosphate], [R-(Z,Z)]-
  • myo-Inositol, 1-[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadienyl]oxy]propyl hydrogen phosphate]
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