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Carotenoids DB          Carotenoids DB: CA00255   
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Entry
CA00255                                                            
Classification
Carotenoid Name
4-Ketotorulene
IUPAC name 3',4'-Didehydro-beta,psi-caroten-4-one
Formula
C40H52O
Molecular Weight 
548.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
14 including one ketone (14 in total)
Number of
conjugated multiple bonds 
14 including one ketone (14 in total)
Isomers 
  • Constitutional isomer: CA00160, CA00254, CA00320, CA00364, CA00460, CA00540, CA00724, CA00729
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    12.645
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    2
    Complexity of molecule
    0.065
    Number of heavy atoms
    41
    TPSA
    (Topological Polar Surface Area) 
    17.070 Å2
    Reaction
    Pathway
  • Pathway: CB000138
    • Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    16840-81-6
    Links to other DB
    KNApSAcK: C00022971

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