Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00879   
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Entry
CA00879                                                            
Classification
Carotenoid Name
IUPAC name 9'-Hydroxy-9'-apo-epsilon,psi-caroten-3-one
Formula
C29H38O2
Molecular Weight 
418.594 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8 and 2 including one ketone (10 in total)
Number of
conjugated multiple bonds 
8 and 2 including one ketone (10 in total)
Isomers 
  • Constitutional isomer: CA00858
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    8.099
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.087
    Number of heavy atoms
    31
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    34786-64-6
    Links to other DB

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