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Substance Name: myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate)
RN: 88587-96-6
InChIKey: KZVRAFHIKMDULK-VCVDCNFESA-N

Molecular Weight

  • 863.112
 
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Names and Synonyms

  • myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate)

Registry Numbers

CAS Registry Number

  • 88587-96-6

System Generated Number

  • 0088587966

Structure Descriptors

InChI

1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40-45,48-52H,3-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b14-12-,20-18-/t37-,40-,41-,42+,43+,44+,45-/m1/s1

InChIKey

KZVRAFHIKMDULK-VCVDCNFESA-N

Smiles

O[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)O[P@@](=O)(O)OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCC\C=C/C\C=C/CCCCC)=O