Dataset

2,3-di-O-Phytanyl-sn-glycerol-1-phosphoryl-myo-inositol; FAB-B; MS

This MassBank record with Accession MSBNK-UOEH-UO000035 contains the MS mass spectrum of 2,3-di-O-Phytanyl-sn-glycerol-1-phosphoryl-myo-inositol with the InChIkey JTCUWWRWFRHYJL-UUSPVFOTSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C49H99O11P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-57-33-43(34-59-61(55,56)60-49-47(53)45(51)44(50)46(52)48(49)54)58-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-54H,11-34H2,1-10H3,(H,55,56)/t37?,38?,39?,40?,41?,42?,43?,44-,45-,46+,47-,48-,49-/m1/s1
SMILES CC(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)C
InChI Key JTCUWWRWFRHYJL-UUSPVFOTSA-N
Molecular Formula C49H99O11P
Exact Mass 894.692 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-UO000035
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MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol12193(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.