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

CAS Registry Number®

88542-99-8
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CAS Name

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

Molecular Formula

C43H79O13P

Molecular Mass

835.05

Cite this Page

myo-Inositol, 1-[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl hydrogen phosphate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88542-99-8 (retrieved 2024-05-19) (CAS RN: 88542-99-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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)

InChIKey

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

Canonical SMILES

O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC

Other Names for this Substance

  • myo-Inositol, 1-[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl hydrogen phosphate]
  • 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]
  • Phosphatidylinositol choline 16:0/18:2

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