D-myo-Inositol 1-[(2R)-2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]-3-[(1-oxohexadecyl)oxy]propyl hydrogen phosphate]
CAS Registry Number®
88587-97-7
CAS Name
D-myo-Inositol 1-[(2R)-2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]-3-[(1-oxohexadecyl)oxy]propyl hydrogen phosphate]Molecular Formula
C45H79O13PMolecular Mass
859.07Cite this Page
D-myo-Inositol 1-[(2R)-2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]-3-[(1-oxohexadecyl)oxy]propyl hydrogen phosphate]. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=88587-97-7 (retrieved ) (CAS RN: 88587-97-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,37,40-45,48-52H,3-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,53,54)/b13-11-,18-17-,22-20-,28-26-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
InChIKey
InChIKey=KIQYUSYSJTUGFZ-LSLODQAYSA-N
SMILES
O(P(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)O)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILES
O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC
Other Names for this Substance
- D-myo-Inositol, 1-[(2R)-2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]-3-[(1-oxohexadecyl)oxy]propyl hydrogen phosphate]
- D-myo-Inositol, 1-[2-[(1-oxo-5,8,11,14-eicosatetraenyl)oxy]-3-[(1-oxohexadecyl)oxy]propyl hydrogen phosphate], [R-(all-Z)]-
- D-myo-Inositol, 1-[(2R)-2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl]oxy]-3-[(1-oxohexadecyl)oxy]propyl hydrogen phosphate]
- D-myo-Inositol 1-[(2R)-2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]-3-[(1-oxohexadecyl)oxy]propyl hydrogen phosphate]
