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Carotenoids DB          Carotenoids DB: CA00276   
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Entry
CA00276                                                            
Classification
Carotenoid Name
4-Ketophleixanthophyll
IUPAC name 1'-(beta-D-Glucopyranosyloxy)-2'-hydroxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-4-one
Formula
C46H64O8
Molecular Weight 
744.972 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13 including one ketone (13 in total)
Number of
conjugated multiple bonds 
13 including one ketone (13 in total)
Isomers 
  • Constitutional isomer: CA00277, CA00963, CA00523
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.382
    Hydrogen Bond donors
    (Lipinski's definition)
    5
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    8
    LipinskiFailures
    2
    Complexity of molecule
    0.314
    Number of heavy atoms
    54
    TPSA
    (Topological Polar Surface Area) 
    136.680 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    -
    Links to other DB
    KNApSAcK: C00023011
    LipidBank: VCA1109

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