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Carotenoids DB          Carotenoids DB: CA00518   
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Entry
CA00518                                                            

Classification
Carotenoid Name
Isofucoxanthin
IUPAC name (3S,5R,3'S,5'R,6'R)-3'-Ethanoyloxy-3,5,5'-trihydroxy-6',7'-didehydro-5,8,5',6'-tetrahydro-beta,beta-caroten-8-one
Formula
C42H58O6
Molecular Weight 
658.884 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10 including one ketone (10 in total)
Number of
conjugated multiple bonds 
10 including one ketone (10 in total)
Isomers 
  • Constitutional isomer: CA00519
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.247
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    6
    LipinskiFailures
    2
    Complexity of molecule
    0.283
    Number of heavy atoms
    48
    TPSA
    (Topological Polar Surface Area) 
    104.060 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    7218-76-0
    Links to other DB

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