Dataset

2,3-di-O-Sesterterpanyl-sn-glycerol-1-phospho-myo-inositol; FAB-B; MS

This MassBank record with Accession MSBNK-UOEH-UO000027 contains the MS mass spectrum of 2,3-di-O-Sesterterpanyl-sn-glycerol-1-phospho-myo-inositol with the InChIkey QOSPLQZCACBVCZ-KINRRXRNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C59H119O11P/c1-43(2)21-13-23-45(5)25-15-27-47(7)29-17-31-49(9)33-19-35-51(11)37-39-67-41-53(42-69-71(65,66)70-59-57(63)55(61)54(60)56(62)58(59)64)68-40-38-52(12)36-20-34-50(10)32-18-30-48(8)28-16-26-46(6)24-14-22-44(3)4/h43-64H,13-42H2,1-12H3,(H,65,66)/t45?,46?,47?,48?,49?,50?,51?,52?,53?,54-,55-,56+,57-,58-,59-/m1/s1
SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(CO[P](O)(=O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChI Key QOSPLQZCACBVCZ-KINRRXRNSA-N
Molecular Formula C59H119O11P
Exact Mass 1034.849 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UOEH-UO000027
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MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol36473(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.