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Carotenoids DB          Carotenoids DB: CA00126   
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Entry
CA00126                                                            

Classification
Carotenoid Name
Didemethylspirilloxanthin glucoside ester
IUPAC name 1'-(6-O-acyl-beta-D-Glucopyranosyloxy)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-caroten-1-ol
Formula
C50H72O8
Molecular Weight 
801.076 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13
Number of
conjugated multiple bonds 
13
Isomers 
  • Constitutional isomer: CA00275
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    12.167
    Hydrogen Bond donors
    (Lipinski's definition)
    4
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    8
    LipinskiFailures
    2
    Complexity of molecule
    0.046
    Number of heavy atoms
    58
    TPSA
    (Topological Polar Surface Area) 
    125.680 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS

    Links to other DB
    LipidBank: VCA1174

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